SCHEMBL27459331

SCHEMBL27459331

NC(=O)Oc1ccnc(C(F)(F)F)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LIMK1 P53667 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ PLA2G10 O15496 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ NR3C2 P08235 3/20 0.34
▸ PPIA P62937 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ PPARG P37231 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CRHBP P24387 1/20 0.32

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
SCHEMBL45809 0.80 HTT (0.45) HTTHSD17B10LIMK1PLA2G10PLA2G2A
SCHEMBL1666054 0.72 MAPT (0.38) HTTMRGPRX4RXRARXRBRXRG
SCHEMBL8362229 0.69 RXRA (0.49) HTTHSD17B10MRGPRX4RXRARXRB
SCHEMBL24787605 0.68 HSD17B10 (0.34) HTTHSD17B10RXRARXRBRXRG
SCHEMBL28171065 0.68 KDM4E (0.40) HTTMRGPRX4MAPTLMNASMN1; SMN2
SCHEMBL4558527 0.67 HSD17B10 (0.51) HTTHSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL27644538 0.67 HPGD (0.51) PLA2G10PLA2G2ALMNASMN1; SMN2
SCHEMBL19865232 0.66 PPIA (0.44) HTTHSD17B10MRGPRX4RXRARXRB
SCHEMBL3957624 0.66 HTT (0.50) HTTHSD17B10NR3C2SMN1; SMN2CES1
SCHEMBL28170755 0.64 CYP4F2 (0.48) MRGPRX4PLA2G10PLA2G2APPARGLMNA

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-1124024-A Herbicidal (4-substituted pyridyl)-3-carbinols ZENECA LTD (GB) 1996-06-05 — — CN disclosed
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