SCHEMBL28802440

SCHEMBL28802440

Nc1cc(-c2ccccc2)c(F)c(N)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
PBRM1 Q86U86 2/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 2/20 0.36
BRD4 O60885 1/20 0.36
NR1I2 O75469 1/20 0.36
MAOA P21397 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL23580456 0.88 HSD17B10 (0.46) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL27902943 0.83 HSD17B10 (0.41) HSD17B10ALDH1A1ALOX5APFEN1SMARCA2
SCHEMBL15250326 0.79 HSD17B10 (0.46) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL28450783 0.77 HSD17B10 (0.48) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL28897414 0.77 HSD17B10 (0.48) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL2312693 0.76 ESR2 (0.40) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL23579744 0.76 HPRT1 (0.48) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL21199977 0.75 ALOX5AP (0.42) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL16615862 0.74 ALDH1A1 (0.62) HSD17B10ALDH1A1PDE4APDE4BPDE4C
SCHEMBL30594664 0.74 ALDH1A1 (0.62) HSD17B10ALDH1A1PDE4APDE4BPDE4C

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-110446704-B Process for the preparation of sulfonamide-structured kinase inhibitors 奥赖恩公司 2022-07-05 CN claimed
CN-115124470-A Process for the preparation of sulfonamide-structured kinase inhibitors 奥赖恩公司 2022-09-30 CN disclosed
CN-110446704-B Process for the preparation of sulfonamide-structured kinase inhibitors 奥赖恩公司 2022-07-05 CN disclosed