SCHEMBL7694994

SCHEMBL7694994

COCCNC(=O)COc1cc(-c2c(CCl)[nH]c(C(F)(F)F)c2CCl)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ADORA1 P30542 1/20 0.35
ALPL P05186 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 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
SCHEMBL7688614 0.90 HPGD (0.45) HPGDTSHRLMNANPC1RAB9A
SCHEMBL7694752 0.87 ROCK2 (0.34) LMNANPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL7693645 0.87 ROCK2 (0.34) HPGDTSHRLMNANPC1RAB9A
SCHEMBL7693799 0.86 GAA (0.44) HPGDTSHRLMNANPC1RAB9A
SCHEMBL7693788 0.85 RAB9A (0.45) HPGDTSHRLMNANPC1RAB9A
SCHEMBL7694751 0.84 FAAH (0.38) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL7692292 0.83 ROCK2 (0.32) ROCK2ROCK1
SCHEMBL7693096 0.83 ROCK2 (0.31) ROCK2ROCK1
SCHEMBL7695029 0.81 PDCD1 (0.34) LMNAROCK2ROCK1
SCHEMBL7687816 0.79 BACE1 (0.36) HPGDROCK2ROCK1GAACYP2C19

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-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO disclosed