SCHEMBL10696066

SCHEMBL10696066

CC1C(=O)N(C)c2cc3c(cc21)NC(c1ccccn1)N3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.38
KDM4E B2RXH2 11/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 3/20 0.38
GLA P06280 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 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
SCHEMBL10698891 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10700930 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10699249 0.82 HPGD (0.37) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10694150 0.78 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10695479 0.77 KDM4E (0.45) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10695135 0.74 CREBBP (0.41) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10694340 0.74 CA12 (0.50) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10696186 0.73 KMT2A (0.43) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10470636 0.72 CTH (0.35) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL10695734 0.71 TNKS2 (0.48) ALDH1A1KDM4EKMT2AMEN1HPGD

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