SCHEMBL31632800

SCHEMBL31632800

Cc1cn(-c2cccc(F)c2)c2ncc(C(=O)O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2B O60939 3/20 0.49
SCN1B Q07699 3/20 0.49
SCN5A Q14524 3/20 0.49
SCN9A Q15858 3/20 0.49
SCN1A P35498 2/20 0.49
SPR P35270 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.41
PTPN11 Q06124 6/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALKBH1 Q13686 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPK14 Q16539 1/20 0.37
RORC P51449 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
SCHEMBL6840243 0.79 SCN2B (0.70) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL31633159 0.79 SPR (0.64) SPRALDH1A1L3MBTL1
SCHEMBL31633080 0.77 HPGD (0.53) KMT2ANOTUMALDH1A1L3MBTL1MAPK14
SCHEMBL13202016 0.77 HPGD (0.53) KMT2AMAPK14
SCHEMBL17963082 0.72 HCAR2 (0.40) SPRPTPN11ALDH1A1L3MBTL1RXRA
SCHEMBL25588028 0.71 HCAR2 (0.39) SPRKMT2APTPN11ALDH1A1RXRA
SCHEMBL31403687 0.70 HCAR3 (0.41) PTPN11RXRA
SCHEMBL31403685 0.70 HCAR3 (0.41) PTPN11RXRA
SCHEMBL28770755 0.68 NOTUM (0.49) SPRKMT2ANOTUMALDH1A1L3MBTL1
SCHEMBL20318948 0.68 HCAR2 (0.36) SPRPTPN11ALDH1A1CYP1A2RXRA

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-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed