SCHEMBL10697404

SCHEMBL10697404

COCCN1C(=O)Cc2cc3nc(-c4ccc(O)cc4)[nH]c3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.44
TOP2A P11388 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BMPR1B O00238 2/20 0.42
BMPR1A P36894 2/20 0.42
TGFBR1 P36897 2/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1 Q04771 2/20 0.42
SCD O00767 1/20 0.40
RHEB Q15382 1/20 0.40
GUSB P08236 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NPBWR1 P48145 1/20 0.39
MTOR P42345 1/20 0.38
CTSC P53634 2/20 0.38
DGAT1 O75907 1/20 0.37

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
SCHEMBL10699532 0.90 SLC2A1 (0.47) ALDH1A1HPGDSMN1; SMN2HSD17B10BMPR1B
SCHEMBL10699429 0.89 TOP1 (0.45) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10698699 0.88 TOP1 (0.44) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10532544 0.82 TOP1 (0.42) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10697614 0.80 CBFB (0.47) SMN1; SMN2KDM4E
SCHEMBL10698967 0.79 AURKB (0.47) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10698622 0.79 SCD (0.40) TOP1TOP2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10700889 0.78 BMPR1B (0.43) ALDH1A1HPGDSMN1; SMN2BMPR1BBMPR1A
SCHEMBL10698172 0.77 RHEB (0.49) ALDH1A1HPGDHSD17B10BMPR1BBMPR1A
SCHEMBL10530438 0.76 GUSB (0.40) TOP1TOP2AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed