SCHEMBL30911436

SCHEMBL30911436

O=Cc1nc(C(F)(F)F)cc2cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ METAP2 P50579 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TRPM8 Q7Z2W7 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
SCHEMBL35211500 0.75 METAP2 (0.39) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL35211775 0.75 METAP2 (0.39) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL35211473 0.71 MAPK1 (0.39) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL2426106 0.71 METAP2 (0.42) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL30911391 0.71 NT5E (0.34) ALDH1A1
SCHEMBL35211499 0.69 TRPA1 (0.37) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL35210889 0.67 RXRA (0.36) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL35211095 0.66 TRPA1 (0.35) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL2427659 0.66 ERN1 (0.40) TRPA1RXRARXRBRXRGMETAP2
SCHEMBL29935824 0.66 NOS1 (0.39) ALDH1A1

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
WO-2024074977-A1 SUBSTITUTED 1 H-PYRAZOLO-PYRIDINE AND-PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-04-11 — — WO disclosed
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