SCHEMBL31433790

SCHEMBL31433790

CNc1ncc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
MAPT P10636 6/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL15081290 0.85 MAPT (0.48) OPRK1MAPTALDH1A1CYP2C19GLA
SCHEMBL31433529 0.85 MAPT (0.59) MAPTALDH1A1GLATDP1MAPK1
SCHEMBL5593284 0.82 OPRK1 (0.51) OPRK1MAPTALDH1A1CYP2C19GLA
SCHEMBL4132236 0.82 OPRK1 (0.51) OPRK1MAPTALDH1A1CYP2C19ALKBH5
SCHEMBL27978240 0.81 MAPT (0.44) MAPTALDH1A1CYP2C19GLATDP1
SCHEMBL2692671 0.81 OPRK1 (0.50) OPRK1MAPTALDH1A1CYP2C19POLB
SCHEMBL1680354 0.81 OPRK1 (0.50) OPRK1MAPTALDH1A1CYP2C19GLA
SCHEMBL8326765 0.81 OPRK1 (0.50) OPRK1MAPTALDH1A1CYP2C19POLB
SCHEMBL30618280 0.81 OPRK1 (0.50) OPRK1MAPTALDH1A1CYP2C19POLB
SCHEMBL31426614 0.81 OPRK1 (0.50) OPRK1MAPTALDH1A1CYP2C19POLB

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-2025050016-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2025-03-06 WO disclosed