SCHEMBL27595202

SCHEMBL27595202

N#Cc1cc(-c2ccccc2)c(F)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.47
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ACLY P53396 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PGR P06401 1/20 0.40
SLC22A12 Q96S37 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GALR3 O60755 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SCN9A Q15858 2/20 0.37

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
SCHEMBL27577074 0.85 MAOA (0.49) ARMAOAMAOBPGRSLC22A12
SCHEMBL27579592 0.81 AR (0.43) ARMAOAMAOBPGRSLC22A12
SCHEMBL768917 0.79 ACLY (0.49) ARMAOAMAOBACLYCYP11B1
SCHEMBL22609640 0.74 ACLY (0.51) ARMAOAMAOBACLYCYP11B1
SCHEMBL4052387 0.73 CYP19A1 (0.47) ARCYP11B1CYP11B2ADORA2AADORA1
SCHEMBL28947751 0.73 AR (0.47) ARPGRSLC22A12KCNJ1KCNH2
Hydrochloric Acid SCHEMBL4599477 0.72 CYP19A1 (0.46) ARCYP11B1CYP11B2ADORA2AADORA1
SCHEMBL6991452 0.71 AR (0.44) ARMAOAMAOBPGRCYP1A2
SCHEMBL23968833 0.70 KCNJ1 (0.40) ARPGRSLC22A12KCNJ1KCNH2
SCHEMBL24195818 0.70 KHK (0.38) ARCYP11B1CYP11B2SLC22A12KDM4E

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
CN-1487924-A Farnesyl transferase inhibitors ���Ͽع����޹�˾ 2004-04-07 CN disclosed