SCHEMBL10700950

SCHEMBL10700950

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1S Q13698 3/20 0.35
BRD4 O60885 2/20 0.35
CCL2 P13500 1/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
ABCB1 P08183 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ESR2 Q92731 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10697977 0.90 MEN1 (0.36) MEN1KMT2ABRD4CCL2ALDH1A1
SCHEMBL10698445 0.90 MEN1 (0.36) MEN1KMT2ACACNA1SBRD4ALDH1A1
SCHEMBL10699882 0.89 KDM4E (0.35) BRD4CCL2ALDH1A1KDM4EHPGD
SCHEMBL10700358 0.85 TNKS2 (0.43) MEN1KMT2ACACNA1SBRD4CCL2
SCHEMBL10700488 0.80 BMPR1B (0.37) MEN1KMT2AALDH1A1KDM4EABCB1
SCHEMBL10699610 0.80 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4EABCB1
SCHEMBL10698552 0.79 PDE6D (0.36) MEN1KMT2ABRD4CCL2ALDH1A1
SCHEMBL10698690 0.78 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10699480 0.77 KDM4E (0.34) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL10700985 0.77 KMT2A (0.36) MEN1KMT2AALDH1A1KDM4EHPGD

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