SCHEMBL10608969

SCHEMBL10608969

CNC(=O)n1nnc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ PPOX P50336 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTR2A P28223 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ KDR P35968 1/20 0.39
▸ EGFR P00533 3/20 0.39
▸ ERBB2 P04626 3/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ STK39 Q9UEW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37

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
SCHEMBL10610451 0.81 FFAR1 (0.44) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8692908 0.80 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8693697 0.80 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8696452 0.74 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8825590 0.74 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8938810 0.72 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11303832 0.72 FFAR1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL12593994 0.71 KMO (0.49) MEN1KMT2AKDM4E
SCHEMBL10430867 0.71 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8320103 0.71 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A

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-0178708-B1 HETEROAROMATIC ETHER HERBICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-08 — — EP disclosed
EP-0178708-A2 Heteroaromatic ether herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-04-23 — — EP disclosed
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