SCHEMBL10697745

SCHEMBL10697745

CC1C(=O)N(CCO)c2cc3c(cc21)NC(c1ccc(O)cc1)N3

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
AR P10275 1/20 0.35
IDE P14735 1/20 0.35
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
CAPN1 P07384 1/20 0.31
CACNA1S Q13698 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
WEE1 P30291 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
SCHEMBL10699606 0.87 TNKS2 (0.43) KMT2AMEN1GAABRD4CACNA1S
SCHEMBL10698630 0.87 KMT2A (0.37) KMT2AMEN1GAAARIDE
SCHEMBL10698144 0.87 KDM4E (0.39) BRD4CCL2
SCHEMBL10698690 0.84 MEN1 (0.33) KMT2AMEN1GAACAPN1
SCHEMBL10696186 0.84 KMT2A (0.43) KMT2AMEN1GAAARIDE
SCHEMBL10701683 0.81 KDM4E (0.40) KMT2AMEN1GAASMN1; SMN2
SCHEMBL10700930 0.77 ALDH1A1 (0.34) KMT2AMEN1GAASMN1; SMN2
SCHEMBL10700358 0.76 TNKS2 (0.43) KMT2AMEN1GAABRD4CCL2
SCHEMBL10699106 0.75 ALDH1A1 (0.40) KMT2AGAABRD4CCL2
SCHEMBL10700676 0.74 ALDH1A1 (0.38) KMT2AGAABRD4CCL2SMN1; SMN2

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