SCHEMBL10698933

SCHEMBL10698933

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX12 P18054 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 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
SCHEMBL10700488 0.90 BMPR1B (0.37) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10701783 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10697525 0.80 MEN1 (0.36) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10698445 0.80 MEN1 (0.36) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10700180 0.79 BRD4 (0.36) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10698133 0.77 BRD4 (0.36) KMT2AALDH1A1KDM4EHPGDTDP1
SCHEMBL10699540 0.74 TNKS2 (0.43) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10691737 0.74 MEN1 (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10699549 0.73 BMPR1B (0.41) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL10695102 0.71 KDM4E (0.38) ALDH1A1KDM4EHPGDTDP1BMPR1B

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