SCHEMBL11460792

SCHEMBL11460792

COc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC(F)F

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 9/20 0.62
▸ DRD2 P14416 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ GRIK2 Q13002 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 2/20 0.43

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
SCHEMBL11160051 0.84 CASR (0.59) CASRGRIK2LMNATP53KDM4E
SCHEMBL11462861 0.82 MAPT (0.59) LMNATP53KDM4EMAPT
SCHEMBL11158937 0.82 CASR (0.57) CASRGRIK2LMNATP53KDM4E
SCHEMBL11164228 0.82 CASR (0.57) CASRGRIK2LMNATP53KDM4E
SCHEMBL11462576 0.82 CASR (0.59) CASRGRIK2LMNATP53KDM4E
Ciproquazone SCHEMBL287449 0.81 CASR (0.58) CASRGRIK2LMNATP53KDM4E
SCHEMBL11469861 0.81 CASR (0.55) CASRGRIK2LMNATP53KDM4E
SCHEMBL11602843 0.79 CASR (0.68) CASRGRIK2LMNAKDM4EALDH1A1
SCHEMBL11164263 0.79 CASR (0.95) CASRKDM4E
SCHEMBL11469865 0.79 L3MBTL1 (0.53) LMNAALDH1A1HPGDSMN1; SMN2NPSR1

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-4202895-A 1-Polyhaloalkyl-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 — — US disclosed
Send feedback