SCHEMBL10697525

SCHEMBL10697525

COc1ccc(C2Nc3cc4c(cc3N2C)N(CCO)C(=O)C4(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ABCB1 P08183 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
ALOX12 P18054 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10699610 0.90 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10697223 0.90 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10700743 0.89 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL10698674 0.88 KDM4E (0.34) ALDH1A1KDM4EHPGDTDP1
SCHEMBL10700232 0.85 TNKS2 (0.43) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL10698445 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL10698933 0.80 KMT2A (0.36) MEN1KMT2AALDH1A1KDM4ECA1
SCHEMBL10697809 0.79 CNR1 (0.39) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL10698676 0.78 KDM4E (0.35) ALDH1A1KDM4EHPGDTDP1
SCHEMBL10700189 0.78 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4ERAB9A

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