SCHEMBL10697977

SCHEMBL10697977

COCCN1C(=O)C(C)c2cc3c(cc21)N(C)C(c1ccc(O)cc1)N3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.32
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FPR2 P25090 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
SCHEMBL10700950 0.90 MEN1 (0.36) MEN1KMT2ASMN1; SMN2TDP1BRD4
SCHEMBL10699882 0.89 KDM4E (0.35) LMNASMN1; SMN2RECQLTDP1BRD4
SCHEMBL10698690 0.89 MEN1 (0.33) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL10700985 0.87 KMT2A (0.36) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL10698630 0.85 KMT2A (0.37) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL10694978 0.82 MEN1 (0.36) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL10698445 0.82 MEN1 (0.36) MEN1KMT2ASMN1; SMN2TDP1BRD4
SCHEMBL10698552 0.79 PDE6D (0.36) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL10699480 0.79 KDM4E (0.34) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10700358 0.74 TNKS2 (0.43) MEN1KMT2ALMNASMN1; SMN2BRD4

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