SCHEMBL9218403

SCHEMBL9218403

CCSc1c(C(=O)O)c(C(F)(F)F)nn1CC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9544291 0.83 PLAT (0.39) LMNANPSR1KDM4EALDH1A1MAPT
SCHEMBL20551143 0.77 KDM4E (0.38) LMNATSHRNPSR1KDM4ERECQL
SCHEMBL8323455 0.77 KDM4E (0.40) LMNATSHRNPSR1KDM4ERECQL
SCHEMBL10373122 0.71 GAA (0.38) LMNAKDM4EALDH1A1GAACYP1A2
SCHEMBL2363098 0.70 NPC1 (0.42) LMNATSHRNPSR1KDM4ERECQL
SCHEMBL9220660 0.69 CYP1A2 (0.42) LMNANPSR1KDM4ERECQLALDH1A1
SCHEMBL8322237 0.67 KDM4E (0.43) LMNAKDM4ERECQLALDH1A1GAA
SCHEMBL22286156 0.65 KDM4E (0.35) LMNATSHRNPSR1KDM4ERECQL
SCHEMBL9219783 0.65 KDM4E (0.38) LMNATSHRNPSR1KDM4ERECQL
SCHEMBL9116719 0.65 MEN1 (0.32) LMNATSHRNPSR1KDM4ERECQL

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
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed