SCHEMBL10697214

SCHEMBL10697214

CN1C(=O)Cc2cc3c(cc21)N(C)C(c1ccccn1)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 9/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GFER P55789 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CREBBP Q92793 1/20 0.35
TRIM24 O15164 1/20 0.35
BRPF1 P55201 1/20 0.35
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL10699134 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10699780 0.84 BMPR1B (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10695102 0.80 KDM4E (0.38) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL10694302 0.79 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10696706 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10691737 0.75 MEN1 (0.36) ALDH1A1KDM4EGAARAB9AHSD17B10
SCHEMBL10701783 0.74 KMT2A (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10700949 0.70 BMPR1B (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10700189 0.70 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL10697625 0.70 BMPR1B (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2GAA

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