SCHEMBL9723133

SCHEMBL9723133

O=c1cc(C(F)(F)F)ncn1-c1c(Cl)cc(OC(F)(F)F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.34
ALPI P09923 1/20 0.33
PTGS2 P35354 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL9723048 0.91 ALPI (0.36) DDR1ALPIPTGS2NPSR1MEN1
SCHEMBL9723063 0.91 DDR1 (0.33) DDR1PTGS2
SCHEMBL9581826 0.90 NPSR1 (0.30) NPSR1
SCHEMBL9723075 0.86 ALDH1A1 (0.33) DDR1ALPIPTGS2NPSR1MEN1
SCHEMBL9582218 0.83 DDR1 (0.34) DDR1ALPIPTGS2NPSR1
SCHEMBL9593933 0.83 DDR1 (0.35) DDR1ALPIPTGS2NPSR1MEN1
SCHEMBL9582323 0.83 DDR1 (0.34) DDR1ALPI
SCHEMBL9592740 0.83 DDR1 (0.34) DDR1ALPI
SCHEMBL9339481 0.83 GABRA2 (0.36) NPSR1MEN1KMT2AKDM5BL3MBTL1
SCHEMBL9723047 0.82 POLB (0.34) ALPIPTGS2

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
US-5104878-A Insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-14 US disclosed
EP-0396250-A1 Pyrimidinone derivatives ZENECA LIMITED (GB) 1990-11-07 EP disclosed