SCHEMBL10691731

SCHEMBL10691731

CN1C(=O)Cc2cc3nc(-c4ccc(O)cc4)n(C)c3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
BMPR1B O00238 7/20 0.37
BMPR1A P36894 7/20 0.37
ACVRL1 P37023 7/20 0.37
ACVR1 Q04771 7/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ESR1 P03372 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TGFBR1 P36897 4/20 0.36

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
SCHEMBL10695099 0.86 MEN1 (0.48) TRIM24MEN1KMT2ACA1CA2
SCHEMBL10700170 0.86 BMPR1B (0.38) TRIM24MEN1KMT2ACA1CA2
SCHEMBL10701774 0.86 TRIM24 (0.43) TRIM24MEN1KMT2ACHEK2CDC25A
SCHEMBL10702791 0.81 BMPR1B (0.42) TRIM24MEN1KMT2ACA1CA2
SCHEMBL10694299 0.80 CYP11B1 (0.54) TRIM24BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL10700889 0.79 BMPR1B (0.43) MEN1KMT2ACA1CA2CA12
SCHEMBL10697210 0.76 CA12 (0.51) TRIM24MEN1KMT2ACA12CA9
SCHEMBL10697238 0.75 CYP11B1 (0.54) TRIM24BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL10694972 0.75 MEN1 (0.40) MEN1KMT2ACA1CA2CA12
SCHEMBL10697084 0.75 MEN1 (0.40) MEN1KMT2ACA1CA2CA12

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