SCHEMBL29270750

SCHEMBL29270750

Cc1nnc(-c2nc(-c3cc4c(cc3F)SC[C@H](CC(C)(C)NC(=O)O)C(=O)N4Cc3ccc(Cl)cc3)no2)o1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ BDKRB1 P46663 1/20 0.31
▸ TP53 P04637 2/20 0.31

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
SCHEMBL29270695 0.89 HDAC6 (0.34) S1PR1TP53
SCHEMBL29270832 0.87 S1PR1 (0.32) S1PR1BDKRB1TP53
SCHEMBL29270756 0.85 HCRTR1 (0.32) P2RX3
SCHEMBL29270721 0.85 CNR2 (0.32) TP53
SCHEMBL29270806 0.85 MDM2 (0.32) P2RX3TP53
SCHEMBL29270734 0.85 TP53 (0.31) TP53
SCHEMBL29270846 0.85 KCNH2 (0.32) P2RX3S1PR1S1PR4S1PR5
SCHEMBL26962822 0.84 BDKRB1 (0.36) P2RX3MAPK14S1PR1BDKRB1
SCHEMBL29270791 0.84 TRPM8 (0.34) BDKRB1TP53
SCHEMBL29270730 0.83 CNR2 (0.32) MAPK14TP53

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-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN disclosed
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