SCHEMBL17833697

SCHEMBL17833697

CC(C)(C)Cc1ccc(N(c2ccccc2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccccc5)c5ccc(CC(C)(C)C)cc5)ccc4c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.32
ACHE P22303 2/20 0.32
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL23188265 0.92 PTGES (0.42) CYP2D6ACHESLC6A2TAAR1PTGES
SCHEMBL17833690 0.85 TP53 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL195669 0.83 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13886632 0.83 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17833692 0.83 MCL1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4650027 0.82 L3MBTL1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL36956 0.82 L3MBTL1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20386561 0.82 ALDH1A1 (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10304794 0.81 PTGES (0.37) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17833694 0.81 DHODH (0.36) KDM4EALDH1A1MAPTCYP2C9ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10910565-B2 Organic electroluminescent element, material for organic electroluminescent elements, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2021-02-02 US disclosed
US-20160211462-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMIRSU KOSAN CO., LTD. (JP) 2016-07-21 US disclosed
US-20160211462-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMIRSU KOSAN CO., LTD. (JP) 2016-07-21 US disclosed
US-20160172602-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172602-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed