SCHEMBL9599296

SCHEMBL9599296

CCC(C)(C)NC(=O)Nc1ccnc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.59
SMARCA4 P51532 8/20 0.59
POLB P06746 1/20 0.50
ANO1 Q5XXA6 5/20 0.48
KMT2A Q03164 1/20 0.48
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
RAB9A P51151 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIK3CA P42336 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL10565023 0.89 POLB (0.64) SMARCA2SMARCA4POLBANO1AR
SCHEMBL10558595 0.86 SMARCA2 (0.57) SMARCA2SMARCA4POLBANO1AR
SCHEMBL9598470 0.85 SMARCA2 (0.66) SMARCA2SMARCA4ANO1KMT2AAR
SCHEMBL9599834 0.80 SMARCA2 (0.86) SMARCA2SMARCA4KMT2ANPC1ALDH1A1
SCHEMBL3322673 0.80 SMARCA2 (0.66) SMARCA2SMARCA4ANO1KMT2AAR
SCHEMBL10502486 0.77 SMARCA2 (0.62) SMARCA2SMARCA4KMT2ARAB9ASMN1; SMN2
SCHEMBL22125117 0.77 SMARCA2 (0.67) SMARCA2SMARCA4KMT2AARRAB9A
SCHEMBL2616482 0.76 SMARCA2 (0.60) SMARCA2SMARCA4ARKDM4EALDH1A1
SCHEMBL10561825 0.76 SMARCA2 (0.61) SMARCA2SMARCA4POLBARPIK3CA
SCHEMBL10561427 0.75 SMARCA2 (0.59) SMARCA2SMARCA4ANO1KMT2ANPC1

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