SCHEMBL9599510

SCHEMBL9599510

CCCCNC(=O)Nc1ccnc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.59
SMARCA4 P51532 6/20 0.59
EPHX1 P07099 7/20 0.58
EPHX2 P34913 4/20 0.55
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL10502486 0.92 SMARCA2 (0.62) SMARCA2SMARCA4EPHX1EPHX2SMN1; SMN2
SCHEMBL3322673 0.85 SMARCA2 (0.66) SMARCA2SMARCA4
SCHEMBL9600748 0.84 SMARCA2 (0.63) SMARCA2SMARCA4HTTALDH1A1
SCHEMBL9599834 0.80 SMARCA2 (0.86) SMARCA2SMARCA4EPHX1EPHX2HTT
SCHEMBL11310806 0.79 NAMPT (0.65) EPHX1HTTSMN1; SMN2ATMALDH1A1
SCHEMBL10560427 0.79 SMARCA2 (0.61) SMARCA2SMARCA4
SCHEMBL13296457 0.78 EPHX2 (0.71) EPHX1EPHX2HTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11310061 0.78 NAMPT (0.64) EPHX1HTTSMN1; SMN2ATMALDH1A1
SCHEMBL22125520 0.77 SMARCA2 (0.76) SMARCA2SMARCA4EPHX1EPHX2
SCHEMBL22125117 0.77 SMARCA2 (0.67) SMARCA2SMARCA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243450-B1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC Corporation (US) 1993-04-28 EP claimed
EP-0243450-A4 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1989-09-11 EP claimed
US-4818271-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-04-04 US claimed
EP-0243450-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1987-11-04 EP claimed
WO-1987002665-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC CORPORATION (US) 1987-05-07 WO claimed