SCHEMBL6991452

SCHEMBL6991452

N#Cc1cccc(-c2ccccc2)c1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.44
PTPN5 P54829 1/20 0.42
ESR2 Q92731 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDK2 Q15119 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
PGR P06401 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL15389475 0.82 AR (0.38) ARPTPN5ADORA2AADORA1PDK2
SCHEMBL16428785 0.78 MAOA (0.47) ARESR2ADORA2AADORA1GABRG2
SCHEMBL25219191 0.76 SCN9A (0.46) KDM4EALDH1A1CYP2C9
SCHEMBL27907835 0.76 METAP2 (0.37) PDK2KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL21357776 0.75 AR (0.47) ARPTPN5ESR2PDK2GABRG2
SCHEMBL16957993 0.75 AR (0.34) ARPDK2PGR
SCHEMBL16957996 0.75 AR (0.50) ARPGR
SCHEMBL16958075 0.75 AR (0.34) ARPDK2PGR
SCHEMBL6001081 0.75 METAP2 (0.36) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL30583087 0.75 CYP2A6 (0.50) PDK2KDM4E

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-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP claimed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO claimed