SCHEMBL19904856

SCHEMBL19904856

CC1C=Cc2c(n(C)c3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GPR3 P46089 1/20 0.42
ALOX15 P16050 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
RB1 P06400 1/20 0.37
HTR5A P47898 1/20 0.36
MAOA P21397 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL24200862 0.83
SCHEMBL19268883 0.80 MAPT (0.37) MAPK1CYP1A2MAPTALDH1A1
SCHEMBL29317543 0.80 KDM4E (0.45) MAPK1KDM4EHSD17B10HTR5AMAPT
SCHEMBL20714093 0.80 GPR3 (0.39) HTR2AHTR2CGPR3ALOX15MAPK1
SCHEMBL18594805 0.80 BRD4 (0.34)
SCHEMBL21311148 0.79 GPR3 (0.38) HTR2AHTR2CGPR3ALOX15MAPK1
SCHEMBL18603045 0.79 HRH1 (0.30)
SCHEMBL18533187 0.78 KDM4E (0.39) HTR2AHTR2CGPR3ALOX15MAPK1
SCHEMBL18872775 0.77 KDM4E (0.31) HTR2AHTR2CKDM4E
SCHEMBL21120835 0.76 KDM4E (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722302-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOUND INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-10-14 EP disclosed
EP-3560941-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOUND INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-10-30 EP disclosed
EP-3070144-B1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO (JP) 2018-02-28 EP disclosed