SCHEMBL29975854

SCHEMBL29975854

Cc1cc(-c2cc(F)c(=O)n(Cc3ccc4nc[nH]c4c3)c2)nc(S(=O)(=O)CCC(Cc2ccccc2F)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ QPCTL Q9NXS2 2/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ QPCT Q16769 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ SDHB P21912 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
SCHEMBL28910503 1.00 TGFBR1 (0.33) TGFBR1BRD4QPCTLSPHK1MAPK14
SCHEMBL20985717 0.90 SPHK1 (0.34) TGFBR1BRD4QPCTLSPHK1MAPK14
SCHEMBL26313352 0.85 SDHB (0.31) SDHB
SCHEMBL29976245 0.85 GNRHR (0.37) —
SCHEMBL28910497 0.85 GNRHR (0.37) —
SCHEMBL29976060 0.84 SDHB (0.33) SDHB
SCHEMBL28910490 0.84 SDHB (0.33) SDHB
SCHEMBL29976248 0.84 — —
SCHEMBL28910492 0.84 — —
SCHEMBL29976113 0.79 GNRHR (0.34) —

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
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
Send feedback