SCHEMBL10698710

SCHEMBL10698710

O=C1Cc2cc3c(cc2N1CCO)NC(c1ccc(O)cc1)N3

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 0.36
TGFBR1 P36897 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
AR P10275 1/20 0.36
IDE P14735 1/20 0.36
ESR1 P03372 5/20 0.32
ESR2 Q92731 4/20 0.32
HTR7 P34969 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10699435 0.88 KMT2A (0.40) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10697413 0.86 BMPR1B (0.39) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10698931 0.81 KDM4E (0.41) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10700949 0.77 BMPR1B (0.36) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10697745 0.75 KMT2A (0.39) KMT2AMEN1GAAARIDE
SCHEMBL10699540 0.74 TNKS2 (0.43) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10698178 0.73 ALDH1A1 (0.40) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10700180 0.72 BRD4 (0.36) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10698933 0.71 KMT2A (0.36) KMT2ABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10698699 0.69 TOP1 (0.44) 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