SCHEMBL10698931

SCHEMBL10698931

O=C1Cc2cc3c(cc2N1CCO)NC(c1cccnc1)N3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
BMPR1B O00238 2/20 0.40
BMPR1A P36894 2/20 0.40
TGFBR1 P36897 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
THPO P40225 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10698957 0.88 CYP1A2 (0.44) KDM4EMEN1MAPK1KMT2AMAPT
SCHEMBL10695340 0.83 KDM4E (0.45) KDM4EMEN1MAPK1KMT2AMAPT
SCHEMBL10698710 0.81 KMT2A (0.40) MEN1KMT2ABMPR1BBMPR1ATGFBR1
SCHEMBL10700949 0.79 BMPR1B (0.36) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL10697577 0.77 KDM4E (0.40) KDM4EMEN1MAPK1KMT2AMAPT
SCHEMBL10701683 0.77 KDM4E (0.40) KDM4EMEN1MAPK1KMT2AMAPT
SCHEMBL10698582 0.74 CYP1A2 (0.41) KDM4EMEN1MAPK1KMT2AMAPT
SCHEMBL10698178 0.74 ALDH1A1 (0.40) KDM4EKMT2ABMPR1BBMPR1ATGFBR1
SCHEMBL10699549 0.73 BMPR1B (0.41) KDM4EMEN1MAPK1KMT2ARECQL
SCHEMBL9832094 0.72 CYP11B1 (0.53) KDM4EMEN1MAPK1KMT2AMAPT

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