SCHEMBL10700488

SCHEMBL10700488

COCCN1C(=O)Cc2cc3c(cc21)N(C)C(c1ccc(OC)cc1)N3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
FPR2 P25090 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
APAF1 O14727 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10698933 0.90 KMT2A (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10699540 0.85 TNKS2 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10701783 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10699549 0.82 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10699610 0.80 MEN1 (0.36) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10700950 0.80 MEN1 (0.36) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10699780 0.79 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10698133 0.79 BRD4 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10700180 0.79 BRD4 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10697413 0.74 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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