SCHEMBL23097562

SCHEMBL23097562

CC(=O)c1ccc([SH](=O)=O)c(CN2C(Cc3c[nH]cn3)COC23CCNCC3)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ RCOR1 Q9UKL0 1/20 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
SCHEMBL12623896 0.75 ALDH1A1 (0.40) KDM1AMAOBRCOR1
SCHEMBL12626404 0.66 LMNA (0.43) —
SCHEMBL12655651 0.65 LMNA (0.36) —
SCHEMBL12626994 0.64 KDM1A (0.48) KDM1AMAOBRCOR1
SCHEMBL12626407 0.62 GPR119 (0.40) —
SCHEMBL12656286 0.60 ALDH1A1 (0.40) KDM1AMAOBRCOR1
SCHEMBL8005575 0.56 HTR1A (0.33) —
SCHEMBL12623893 0.56 ALDH1A1 (0.46) KDM1AMAOBRCOR1
SCHEMBL15694025 0.55 BCHE (0.33) —
SCHEMBL9870623 0.53 AR (0.33) —

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-3791875-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS Pain Therapeutics, Inc. (US) 2021-03-17 — — EP disclosed
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