SCHEMBL27791817

SCHEMBL27791817

NCc1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
MAOB P27338 2/20 0.39
KDM1A O60341 2/20 0.39
BACE1 P56817 1/20 0.37
NPBWR1 P48145 1/20 0.37
OPRL1 P41146 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
NOTUM Q6P988 1/20 0.34
LTA4H P09960 1/20 0.34
ORAI1 Q96D31 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
SCHEMBL1611211 0.88 KDM1A (0.40) SLC6A4MAOBKDM1ABACE1
SCHEMBL1609341 0.87 NPY5R (0.40) SLC6A4KDM1ABACE1OPRL1
SCHEMBL3110578 0.86 NLRP3 (0.39) SLC6A4KDM1ASLC6A3SLC6A2ORAI1
SCHEMBL20508225 0.84 GPR52 (0.40) MAOBKDM1AF2F10PRSS1
SCHEMBL28910306 0.83 ALDH1A1 (0.39) SLC6A4KDM1ABACE1F2F10
SCHEMBL1856768 0.81 TAAR1 (0.35) NPBWR1TAAR1
SCHEMBL1610621 0.81 KDM1A (0.36) SLC6A4KDM1ABACE1F2F10
SCHEMBL1610595 0.81 KDM1A (0.36) SLC6A4KDM1ABACE1F2F10
SCHEMBL1610992 0.80 KDM1A (0.34) SLC6A4KDM1ABACE1OPRL1
SCHEMBL1611568 0.80 KDM1A (0.34) SLC6A4KDM1ABACE1F2F10

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
CN-101652354-B Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG 2014-06-18 CN disclosed
CN-101652354-A insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG DE 2010-02-17 CN disclosed