SCHEMBL13089942

SCHEMBL13089942

Cc1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7ccc(C)cc7)cc6)c5ccc4c4ccccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.39
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPRT1 P00492 1/20 0.34
MAOB P27338 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ENPP1 P22413 2/20 0.33

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
SCHEMBL4545233 0.94 GPR84 (0.38) CRHR1GPR84MEN1KMT2ANPC1
SCHEMBL13089941 0.91 ALDH1A1 (0.33) CRHR1MEN1KMT2ANPC1RAB9A
SCHEMBL4065588 0.91 MEN1 (0.40) CRHR1GPR84MEN1KMT2ANPC1
SCHEMBL14200069 0.86 HSD17B1 (0.35) CRHR1MEN1KMT2ANPC1RAB9A
SCHEMBL10128665 0.86 HSD17B1 (0.35) CRHR1MEN1KMT2ANPC1RAB9A
SCHEMBL9971761 0.85 ALDH1A1 (0.45) GPR84MEN1KMT2AKDM4ECYP2C19
SCHEMBL4545236 0.85 ALDH1A1 (0.45) GPR84MEN1KMT2AKDM4ECYP2C19
SCHEMBL1753730 0.85 ALDH1A1 (0.45) GPR84MEN1KMT2AKDM4ECYP2C19
SCHEMBL14004022 0.84 ENPP3 (0.47) CRHR1GPR84MEN1KMT2ANPC1
SCHEMBL13089940 0.84 KDM4E (0.38) CRHR1MEN1KMT2AKDM4EALDH1A1

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-20100259163-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 US disclosed
US-20100259163-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-14 US disclosed