SCHEMBL23000883

SCHEMBL23000883

Nc1nc(C(F)(F)F)cc(-c2cc(Br)c3[nH]ncc3c2)c1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.40
▸ ADORA2A P29274 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ NOS1 P29475 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.30

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
SCHEMBL18188099 0.85 TRPA1 (0.57) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL30267490 0.85 TRPA1 (0.57) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL18188108 0.77 TRPA1 (0.56) TRPA1TRPM8KDM4EMAPT
SCHEMBL30272877 0.77 TRPA1 (0.56) TRPA1TRPM8KDM4EMAPT
SCHEMBL761933 0.73 DHFR (0.47) ADORA2ANOS1
SCHEMBL2426591 0.69 METAP2 (0.46) TRPA1RXRARXRBRXRGNOS1
SCHEMBL35211775 0.69 METAP2 (0.39) TRPA1ADORA2ARXRARXRBRXRG
SCHEMBL13731748 0.68 HSD17B10 (0.54) ADORA2AKDM4E
SCHEMBL760372 0.66 NOS1 (0.50) NOS1KDM4EMAPT
SCHEMBL18196425 0.65 MAPKAPK2 (0.37) TRPA1NOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107835814-B Azabenzimidazoles and their use as AMPA receptor modulators 詹森药业有限公司 2021-07-23 — — CN disclosed
EP-3288940-B9 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-07-21 — — EP disclosed
EP-3288940-B1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 — — EP disclosed
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