SCHEMBL31737848

SCHEMBL31737848

COC(=O)c1ccc(NCc2ccc3c(c2)n(C)c(=O)n3C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ PTGER4 P35408 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ HCAR3 P49019 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ VCAM1 P19320 1/20 0.43

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
SCHEMBL31737545 0.83 POLB (0.48) MAPTALDH1A1RAB9APTGER4POLB
SCHEMBL31737098 0.80 MAPT (0.55) MAPTALDH1A1PKMPOLB
SCHEMBL4542148 0.80 LMNA (0.53) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL16713330 0.79 MAPT (0.56) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL12004226 0.79 MAPT (0.56) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL4537985 0.79 MAPT (0.62) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL15687598 0.79 POLB (0.61) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL31072813 0.77 MAPT (0.59) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL29342739 0.77 MAPT (0.59) MAPTALDH1A1RAB9APTGER4NPC1
SCHEMBL8024498 0.77 MAPT (0.53) MAPTALDH1A1RAB9APTGER4NPC1

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
WO-2025245367-A1 INHIBITING CATECHOL-O-METHYLTRANSFERASE (COMT) PSY THERAPEUTICS, INC. (US) 2025-11-27 — — WO disclosed
Send feedback