SCHEMBL6964756

SCHEMBL6964756

[CH2]OC(=O)Cc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.58
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
CYP17A1 P05093 1/20 0.41

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
SCHEMBL7591822 0.83 CYP19A1 (0.61) CYP19A1ALDH1A1GAAMAPTLMNA
SCHEMBL237854 0.79 CYP19A1 (0.59) CYP19A1ALDH1A1GAAMAPT
SCHEMBL26114650 0.79 CYP19A1 (0.58) CYP19A1ALDH1A1GAAMAPTLMNA
SCHEMBL301328 0.78 ALDH1A1 (0.61) CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL4829936 0.78 CYP19A1 (0.57) CYP19A1ALDH1A1GAAMAPT
SCHEMBL13360708 0.77 CYP19A1 (0.53) CYP19A1CYP17A1
SCHEMBL6972606 0.77 NAPRT (0.62) CYP19A1CYP17A1
SCHEMBL304656 0.76 CYP19A1 (0.63) CYP19A1MAPT
SCHEMBL7064034 0.76 CYP19A1 (0.54) CYP19A1ALDH1A1
SCHEMBL6957861 0.75 L3MBTL1 (0.45) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed