SCHEMBL4705535

SCHEMBL4705535

OC(c1ccccc1C(F)(F)F)c1cccnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.38
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
CXCL8 P10145 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
CNR2 P34972 1/20 0.35
P2RX7 Q99572 2/20 0.34
HSD11B1 P28845 3/20 0.34
EPHX2 P34913 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
SCD O00767 1/20 0.34

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
SCHEMBL8548980 0.81 ACP3 (0.38) ACP3MEN1TNFCXCL8KMT2A
SCHEMBL30903830 0.81 ACP3 (0.50) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL9776265 0.81 ACP3 (0.50) ACP3CNR2P2RX7OPRM1OPRD1
SCHEMBL4708317 0.79 HDAC4 (0.40) KDM4E
SCHEMBL4707217 0.76 CYP2C19 (0.45) KMT2AOPRM1OPRL1ALDH1A1KDM4E
SCHEMBL4706914 0.76 GAA (0.53) L3MBTL1KDM4E
SCHEMBL29369617 0.75 EPHX2 (0.43) MEN1TNFCXCL8KMT2APAX8
SCHEMBL162911 0.75 EPHX2 (0.43) MEN1TNFCXCL8KMT2APAX8
SCHEMBL4706109 0.75 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL4753826 0.75 TRIM24 (0.36) TRPM8ALDH1A1L3MBTL1

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
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed