SCHEMBL11748460

SCHEMBL11748460

COc1ccc(C)cc1-c1c(C(=O)O)oc2ccc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MAOB P27338 2/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EDNRA P25101 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL9212323 0.77 L3MBTL1 (0.51) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL8200416 0.76 PIM1 (0.49) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL8201626 0.76 L3MBTL1 (0.60) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL5031388 0.74 EDNRA (0.54) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL1065472 0.74 MCL1 (0.71) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL9210201 0.73 MCL1 (0.57) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL9209323 0.73 L3MBTL1 (0.47) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL9221054 0.73 MAPT (0.54) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL10900622 0.72 NPC1 (0.55) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL11522725 0.72 KDM4E (0.56) MAPTKDM4ETP53HPGDTSHR

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-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed