SCHEMBL2955165

SCHEMBL2955165

N#CC(C#N)=CC1CC(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
HSD11B1 P28845 1/20 0.36
AKR1C3 P42330 1/20 0.36
HTR2C P28335 3/20 0.35
S100A4 P26447 1/20 0.34
GLS O94925 1/20 0.34
TRPA1 O75762 1/20 0.33
PIM1 P11309 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
AXL P30530 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP19A1 P11511 1/20 0.31
MAOB P27338 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30991817 1.00 AR (0.36) ARADORA3HSD11B1AKR1C3HTR2C
SCHEMBL29111131 0.85 ADORA3 (0.35) ARADORA3HSD11B1AKR1C3HTR2C
SCHEMBL29028750 0.82 CYP19A1 (0.32) TRPA1KMT2AMEN1KDM4ECYP19A1
SCHEMBL28444269 0.80 MAOB (0.36) KMT2AMEN1KDM4EMAOBNPC1
SCHEMBL8629993 0.74 TRPA1 (0.40) HTR2CTRPA1KMT2AMEN1KDM4E
SCHEMBL2354458 0.74 S100A4 (0.41) ARADORA3HSD11B1AKR1C3HTR2C
SCHEMBL6672820 0.70 PIM1 (0.38) TRPA1PIM1EDNRBEDNRAKMT2A
SCHEMBL2955162 0.70 GLS (0.38) ARADORA3HSD11B1AKR1C3HTR2C
SCHEMBL2955164 0.70 GLS (0.38) ARADORA3HSD11B1AKR1C3HTR2C
SCHEMBL15971135 0.69 PIM1 (0.44) ARADORA3HSD11B1AKR1C3HTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111837251-A Non-fullerene and/or hole scavenger based active layer and optoelectronic device 阿卜杜拉国王科学技术大学 2020-10-27 CN claimed
US-5688906-A Highly efficient nonlinear optical polyimides ENICHEM S.P.A. (IT) 1997-11-18 US claimed
US-5679763-A Polyquinoline-based nonlinear optical materials ENICHEM S.P.A. (IT) 1997-10-21 US claimed
EP-0791849-A1 Non-linear optical compounds ENICHEM S.p.A. (IT) 1997-08-27 EP claimed
EP-0729056-A1 Polyquinoline-based nonlinear optical materials ENICHEM S.p.A. (IT) 1996-08-28 EP claimed
US-5514799-A 1,1-vinyl substituted nonlinear optical materials ENICHEM S.P.A. (IT) 1996-05-07 US claimed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP claimed
EP-0637774-A1 1,1-Vinyl substituted nonlinear optical materials ENICHEM S.p.A. (IT) 1995-02-08 EP claimed
JP-11002847-A None JP disclosed
CN-118290437-A Organic near infrared fluorescent material and biogenic amine detection material 中国科学院上海微系统与信息技术研究所 2024-07-05 CN disclosed
CN-109641914-B Design and synthesis of porphyrin materials for organic photovoltaics 香港浸会大学 2022-01-25 CN disclosed
CN-111837251-A Non-fullerene and/or hole scavenger based active layer and optoelectronic device 阿卜杜拉国王科学技术大学 2020-10-27 CN disclosed
US-7759356-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-20 US disclosed
US-7754730-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-07-13 US disclosed
EP-0727692-A2 Process for intramolecularly condensing a non-linear optical polyamic acid composition ENICHEM S.p.A. (IT) 1996-08-21 EP disclosed
US-5514799-A 1,1-vinyl substituted nonlinear optical materials ENICHEM S.P.A. (IT) 1996-05-07 US disclosed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP disclosed
EP-0637774-A1 1,1-Vinyl substituted nonlinear optical materials ENICHEM S.p.A. (IT) 1995-02-08 EP disclosed
EP-0602654-A1 Efficient electron-donating groups for nonlinear optical applictions ENICHEM S.p.A. (IT) 1994-06-22 EP disclosed
EP-0585999-A1 Functional heteroaromatics for NLO applications ENICHEM S.p.A. (IT) 1994-03-09 EP disclosed