SCHEMBL22912252

SCHEMBL22912252

C[S+]([O-])c1nc(C2=CN(Cc3ccc(OC(F)(F)F)cc3)CC=C2)cc(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PHGDH O43175 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SDHB P21912 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL28875023 0.92 MAPT (0.39) ALDH1A1MAPTTP53SDHBSMN1; SMN2
SCHEMBL28307461 0.85 SDHB (0.39) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL28306389 0.82 SDHB (0.49) ALDH1A1LMNAMAPTTP53SDHB
SCHEMBL28306292 0.80 SDHB (0.41) SDHB
SCHEMBL28306261 0.73 SDHB (0.58) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL19805761 0.73 SDHB (0.58) SDHB
Pyridine SCHEMBL28306262 0.71 EPHX2 (0.34) ALDH1A1TSHRLMNAMAPTSDHB
SCHEMBL28306340 0.70 TP53 (0.37) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL28306272 0.70 ALDH1A1 (0.40) ALDH1A1TSHRMAPTTP53SDHB
SCHEMBL28307457 0.70 SDHB (0.56) ALDH1A1LMNAMAPTTP53SDHB

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
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