SCHEMBL8777898

SCHEMBL8777898

NC(=O)NCc1ccc2c(c1)CCN2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
PTGER4 P35408 2/20 0.49
PTGER2 P43116 1/20 0.49
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
ADORA1 P30542 1/20 0.45
TEAD1 P28347 1/20 0.44
ALOX5 P09917 2/20 0.44
EPHX2 P34913 2/20 0.44
MLYCD O95822 1/20 0.44
CHRM3 P20309 1/20 0.43
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 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
SCHEMBL8778007 0.84 LMNA (0.50) LMNAALOX5EPHX2CYP3A4TDP1
SCHEMBL9088287 0.83 PTGER4 (0.48) MAPTLMNAPTGER4PTGER2KMT2A
SCHEMBL4728356 0.82 MAPT (0.51) MAPTLMNAPTGER4PTGER2KMT2A
SCHEMBL8778095 0.81 FFAR1 (0.47) MAPTLMNAALOX5EPHX2CHRM3
SCHEMBL6840223 0.80 PTGER4 (0.64) PTGER4PTGER2KMT2ATEAD1ALOX5
SCHEMBL31173731 0.80 MLYCD (0.63) LMNAKMT2ANPC1RAB9AMLYCD
SCHEMBL1052230 0.80 MLYCD (0.63) LMNAKMT2ANPC1RAB9AMLYCD
SCHEMBL9204775 0.77 PTGER4 (0.45) MAPTLMNAPTGER4PTGER2KMT2A
SCHEMBL8777936 0.74 TP53 (0.52) MAPTLMNAKMT2AALOX5EPHX2
SCHEMBL18414328 0.74 PPARG (0.53) KMT2AMLYCDCHRM3MEN1PLA2G1B

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
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed