SCHEMBL31661850

SCHEMBL31661850

NC(=O)c1ccc(C(F)(F)F)cc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.55
MKNK2 Q9HBH9 11/20 0.55
SCN9A Q15858 1/20 0.53
CFTR P13569 1/20 0.47
KDR P35968 2/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
SORT1 Q99523 1/20 0.46
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 1/20 0.46
EGFR P00533 1/20 0.45
FGFR1 P11362 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL27927303 0.99 MKNK1 (0.53) MKNK1MKNK2SCN9ACFTRKDR
SCHEMBL6018315 0.84 BCAT2 (0.56) PARP1KDM4E
SCHEMBL34469496 0.80 PARP1 (0.54) MKNK1MKNK2SCN9APARP1KDM4E
SCHEMBL17111537 0.78 JAK2 (0.46) SORT1PARP1KDM4E
SCHEMBL5990332 0.78 CYP11B1 (0.51) SCN9AKDRCYP11B1CYP11B2
SCHEMBL4442762 0.78 MKNK1 (0.66) MKNK1MKNK2CFTRKDR
SCHEMBL28141005 0.77 IDH2 (0.54) SCN9AKDRCYP11B1CYP11B2EGFR
SCHEMBL15009839 0.77 CYP11B1 (0.50) SCN9AKDRCYP11B1CYP11B2EGFR
SCHEMBL15989428 0.77 CYP11B1 (0.53) MKNK1MKNK2SCN9ACFTRKDR
SCHEMBL27724987 0.77 KIF11 (0.50) CFTRPARP1KDM4E

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-2025151311-A1 NICOTINAMIDE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-07-17 WO disclosed