SCHEMBL21156950

SCHEMBL21156950

Cc1ccc(CN/C=C(\N)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
LMNA P02545 3/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
TP53 P04637 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL21156962 0.83 ALDH1A1 (0.46) ALDH1A1HPGDLMNAGLASMN1; SMN2
SCHEMBL20344487 0.82 ADH1B (0.52) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL22048707 0.82 ALDH1A1 (0.43) ALDH1A1HPGDLMNAGLASMN1; SMN2
SCHEMBL20393584 0.80 ALDH1A1 (0.42) ALDH1A1HPGDLMNAGLASMN1; SMN2
SCHEMBL5528831 0.72 CYP2C9 (0.66) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL7449229 0.71 ADH1B (0.52) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL31566 0.71 ADH1B (0.61) ALDH1A1HPGDLMNAGLASMN1; SMN2
SCHEMBL28944284 0.71 ALDH1A1 (0.45) ALDH1A1HPGDLMNAGLASMN1; SMN2
SCHEMBL19980227 0.71 ALDH1A1 (0.45) ALDH1A1HPGDLMNAGLASMN1; SMN2
SCHEMBL15905318 0.70 ALDH1A1 (0.61) ALDH1A1HPGDLMNAGLASMN1; 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-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed