SCHEMBL28306340

SCHEMBL28306340

COc1ccc(CN2C=C(c3cc(C(F)F)nc([S+](C)[O-])n3)C=CC2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CA2 P00918 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL28307440 0.87 MAPT (0.33) TP53MAPTPDE2APDE3ALMNA
SCHEMBL28307461 0.86 SDHB (0.39) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL28306396 0.85 ALDH1A1 (0.34) TP53MAPTPDE2APDE3ALMNA
SCHEMBL28307456 0.82 SDHB (0.43) TP53MAPTPDE2APDE3ALMNA
SCHEMBL28307468 0.82 PDE2A (0.32) TP53MAPTPDE2APDE3AKMT2A
SCHEMBL28307428 0.76 DRD4 (0.30) SIGMAR1
SCHEMBL28307435 0.76 SDHB (0.33) TP53MAPTPDE2APDE3ALMNA
SCHEMBL28875023 0.75 MAPT (0.39) TP53MAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL20985681 0.74 SDHB (0.54) TP53MAPTPDE2APDE3ALMNA
SCHEMBL29975895 0.74 SDHB (0.54) TP53MAPTPDE2APDE3ALMNA

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-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 — — CN disclosed
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