SCHEMBL10697413

SCHEMBL10697413

COCCN1C(=O)Cc2cc3c(cc21)NC(c1ccc(O)cc1)N3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
TGFBR1 P36897 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.37
CTSC P53634 4/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.34
CTSK P43235 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
AR P10275 1/20 0.33
IDE P14735 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL10699540 0.89 TNKS2 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10699435 0.89 KMT2A (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10698710 0.86 KMT2A (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10698974 0.78 KMT2A (0.37) LMNASMN1; SMN2KMT2AMAPTRECQL
SCHEMBL10697625 0.78 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10698178 0.77 ALDH1A1 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10700488 0.74 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10700180 0.73 BRD4 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10697404 0.72 TOP1 (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10700889 0.71 BMPR1B (0.43) 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