SCHEMBL21377327

SCHEMBL21377327

CC(N)C(=O)NCc1ccnc(-c2cnc(C(F)(F)F)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.50
▸ PTGES O14684 4/20 0.49
▸ CARM1 Q86X55 8/20 0.42
▸ PRMT6 Q96LA8 3/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL21377114 0.88 PTGES (0.52) TRPA1PTGESCARM1
SCHEMBL21377105 0.81 TRPA1 (0.48) TRPA1PTGESCARM1PRMT6HDAC1
SCHEMBL16894106 0.80 TRPA1 (0.50) TRPA1PTGESKDM1AHDAC1
SCHEMBL16648021 0.76 USP2 (0.50) TRPA1KDM1AHDAC1
SCHEMBL18224072 0.74 TRPA1 (0.53) TRPA1PTGES
SCHEMBL16894095 0.74 TRPA1 (0.64) TRPA1
SCHEMBL19917703 0.74 TRPA1 (0.51) TRPA1PTGES
SCHEMBL16634937 0.74 LOXL2 (0.55) TRPA1
SCHEMBL19917702 0.74 TRPA1 (0.53) TRPA1PTGES
SCHEMBL16648046 0.73 TRPA1 (0.59) TRPA1

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-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 — — EP disclosed
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