SCHEMBL10697577

SCHEMBL10697577

CC1(C)C(=O)N(CCO)c2cc3c(cc21)NC(c1cccnc1)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 4/20 0.39
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CYP3A4 P08684 3/20 0.34
THRB P10828 1/20 0.34
THPO P40225 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL10696318 0.90 KDM4E (0.41) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10700217 0.89 KDM4E (0.41) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10696477 0.88 KDM4E (0.42) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10698284 0.88 MEN1 (0.39) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10695491 0.88 MAPT (0.42) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10698603 0.87 ALDH1A1 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL10696420 0.85 ELANE (0.43) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10691679 0.84 KDM4E (0.45) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL10700212 0.81 ALDH1A1 (0.37) KDM4EMEN1KMT2AMAPTRECQL
SCHEMBL10701683 0.79 KDM4E (0.40) KDM4EMEN1KMT2AMAPTRAB9A

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