SCHEMBL8892787

SCHEMBL8892787

Cc1c(F)ccc(C(=O)c2cnoc2C2CC2)c1Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGLL Q99685 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
DHODH Q02127 2/20 0.34
PDE2A O00408 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8892441 0.93 DHODH (0.34) ALDH1A1LMNADHODHPDE2ANR1H4
SCHEMBL8901541 0.93 DHODH (0.34) HPGDALDH1A1KDM4ELMNATP53
SCHEMBL8891005 0.91 PLA2G2A (0.36) DHODHPDE2ANR1H4SMN1; SMN2CRACR2A
SCHEMBL8893301 0.87 TBXA2R (0.37) HPGDALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8892550 0.87 ALDH1A1 (0.34) HPGDALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8891456 0.85 ALDH1A1 (0.35) HPGDALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8892612 0.81 TBXA2R (0.36) HPGDLMNATP53DHODHMAPT
SCHEMBL8891580 0.81 PTGS1 (0.35) LMNATP53DHODHPDE2APTGDR2
SCHEMBL8890688 0.81 LMNA (0.34) HPGDALDH1A1LMNATP53DHODH
SCHEMBL9113188 0.80 DHODH (0.40) HPGDLMNADHODHMAPTHTT

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed