SCHEMBL25826358

SCHEMBL25826358

Cc1cnc(CC#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 17/20 0.40
CYP3A4 P08684 17/20 0.40
HSD17B10 Q99714 10/20 0.40
TDP1 Q9NUW8 3/20 0.40
CLK4 Q9HAZ1 8/20 0.35
ALDH1A1 P00352 8/20 0.35
CYP2C19 P33261 7/20 0.35
CYP2D6 P10635 6/20 0.35
TSHR P16473 6/20 0.35
ALOX15 P16050 5/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HRH1 P35367 1/20 0.33
HPGD P15428 1/20 0.31
CYP2C9 P11712 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
SCHEMBL30736092 1.00 MEN1 (0.44) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3680387 0.86 MEN1 (0.54) MEN1KMT2AMAPT
SCHEMBL30736216 0.75 SIRT6 (0.43) MEN1KMT2AMAPT
SCHEMBL28212973 0.74 MEN1 (0.44) MEN1KMT2AMAPT
SCHEMBL14920779 0.74 MEN1 (0.44) MEN1KMT2AMAPT
SCHEMBL23171261 0.74 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25231594 0.74 MEN1 (0.44) MEN1KMT2AMAPT
SCHEMBL2644333 0.74 MEN1 (0.44) MEN1KMT2AMAPT
SCHEMBL702765 0.72 MAPT (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25786468 0.72 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240138-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230232712-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-20 US disclosed