SCHEMBL8063442

SCHEMBL8063442

O=C(NCc1ccc(C(F)(F)F)cc1)c1cnoc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
SORT1 Q99523 1/20 0.47
ROCK2 O75116 1/20 0.45
LSS P48449 1/20 0.45
KDM1A O60341 2/20 0.45
HDAC1 Q13547 2/20 0.45
CASR P41180 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
THRB P10828 1/20 0.44
PIM1 P11309 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL8063449 0.81 DHODH (0.73) DHODHSMN1; SMN2NPC1GMNNLMNA
SCHEMBL10425483 0.81 SMN1; SMN2 (0.67) DHODHSORT1LSSKDM1AHDAC1
SCHEMBL9113695 0.77 DHODH (0.60) DHODHSMN1; SMN2NPC1GMNNLMNA
SCHEMBL10424127 0.77 DHODH (0.56) DHODHSMN1; SMN2NPC1GMNNLMNA
SCHEMBL10425484 0.74 DHODH (0.62) DHODHSMN1; SMN2NPC1GMNNLMNA
SCHEMBL9639005 0.73 DHODH (0.44) DHODHSMN1; SMN2NPC1GMNNLMNA
Aziridine SCHEMBL27450362 0.73 DHODH (0.55) DHODHSMN1; SMN2NPC1GMNNLMNA
SCHEMBL10424090 0.72 DHODH (0.41) DHODHLMNA
SCHEMBL8494851 0.72 DHODH (0.53) DHODHSMN1; SMN2NPC1GMNNLMNA
SCHEMBL7700492 0.72 DHODH (0.53) DHODHSMN1; SMN2NPC1GMNNLMNA

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-0646578-B1 Phenyl carboxamide-isoxazole-derivatives and salts, process for their preparation, their use as pharmaceuticals, and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-05-31 EP disclosed
EP-0646578-A1 Phenyl carboxamide-isoxazole-derivatives and salts, process for their preparation, their use as pharmaceuticals, and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1995-04-05 EP disclosed