SCHEMBL11617992

SCHEMBL11617992

O=C1c2ccccc2C(=O)N1CNc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 8/20 1.00
RPS6KA3 P51812 1/20 0.58
CES1 P23141 3/20 0.54
BCHE P06276 1/20 0.54
CASP3 P42574 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX5 P09917 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL9304609 0.85 RPS6KA2 (0.77) RPS6KA2RPS6KA3CES1BCHEKDM4E
SCHEMBL3062593 0.85 RPS6KA2 (0.73) RPS6KA2CASP3ALDH1A1HPGDPOLB
SCHEMBL7821430 0.79 RPS6KA2 (0.69) RPS6KA2RPS6KA3CES1BCHEHPGD
SCHEMBL1061766 0.79 RPS6KA2 (0.73) RPS6KA2RPS6KA3CES1BCHEALDH1A1
SCHEMBL9304040 0.78 ALOX5 (0.79) RPS6KA2RPS6KA3CES1BCHEALDH1A1
SCHEMBL12310042 0.75 RPS6KA2 (0.65) RPS6KA2RPS6KA3CES1BCHECASP3
SCHEMBL133402 0.73 CYP1A2 (0.71) RPS6KA2CASP3ALDH1A1HPGDKDM4E
SCHEMBL2644044 0.73 CASP3 (0.87) RPS6KA2CASP3ALDH1A1HPGDPOLB
SCHEMBL16087635 0.71 RPS6KA2 (0.56) RPS6KA2CASP3ALDH1A1HPGDNPC1
SCHEMBL7954280 0.70 CASP3 (0.65) RPS6KA2CASP3ALDH1A1HPGDKDM4E

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
US-4124375-A Substituted phthalimides for regulating the growth of plants MONSANTO COMPANY (US) 1978-11-07 US claimed