SCHEMBL28320562

SCHEMBL28320562

FC(F)(F)CCCOc1cc(-c2c[nH]nn2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.35
▸ MGAT2 Q10469 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MOGAT2 Q3SYC2 3/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ SOD1 P00441 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31

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
SCHEMBL31144931 0.79 IKBKB (0.37) MAOBKDM1ARXRARXRBRXRG
SCHEMBL16398998 0.77 MGAT2 (0.36) MAOBMGAT2GRIN1GRIN2BKDM1A
SCHEMBL28321819 0.75 SRD5A2 (0.45) KDM1ARXRARXRBRXRGSOD1
SCHEMBL28320549 0.72 PARP14 (0.38) KDM1A
SCHEMBL28876729 0.70 MRGPRX4 (0.44) MAOB
SCHEMBL28321722 0.69 PPARG (0.40) RXRARXRBRXRG
SCHEMBL28876772 0.68 TACR1 (0.37) KDM1A
SCHEMBL16129064 0.68 PRMT1 (0.37) CACNA1B
SCHEMBL21944613 0.68 KDM1A (0.42) MAOBMGAT2KDM1A
SCHEMBL18004620 0.67 MGAT2 (0.36) MAOBMGAT2KDM1A

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-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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