SCHEMBL6421185

SCHEMBL6421185

O=C(c1ccccc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CNR2 P34972 1/20 0.57
ALDH1A1 P00352 2/20 0.56
SRD5A2 P31213 1/20 0.54
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
PTPRC P08575 1/20 0.51
NPC1 O15118 1/20 0.50
PBRM1 Q86U86 1/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
GAA P10253 1/20 0.49
PTGS2 P35354 1/20 0.48

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
SCHEMBL22508440 0.89 RAB9A (0.53) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL30570885 0.88 CNR2 (0.57) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL29066922 0.88 CNR2 (0.57) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL10586802 0.84 CNR2 (0.51) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL36018 0.83 TTR (0.62) TDP1L3MBTL1ALDH1A1SRD5A2MEN1
SCHEMBL537623 0.83 CNR2 (0.60) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL10029700 0.83 MAPT (0.59) ATMTDP1L3MBTL1ALDH1A1SRD5A2
SCHEMBL21603042 0.83 BCL2 (0.46) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL10029708 0.82 ATM (0.61) ATMTDP1L3MBTL1CNR2ALDH1A1
SCHEMBL2188134 0.82 L3MBTL1 (0.61) ATMTDP1L3MBTL1CNR2ALDH1A1

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed