SCHEMBL24968752

SCHEMBL24968752

N=C(CC(Nc1ccc(Cl)cc1)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ GAA P10253 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CASR P41180 1/20 0.44
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ CTSA P10619 1/20 0.40

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
SCHEMBL27733288 0.81 FNTA (0.57) KMT2AMAPTMEN1GAALMNA
SCHEMBL27818037 0.80 FNTA (0.56) KMT2AMAPTMEN1GAALMNA
SCHEMBL29157130 0.77 CTSA (0.52) KMT2AMAPTMEN1GAALMNA
SCHEMBL14141005 0.77 TAS1R3 (0.45) KMT2AMAPTMEN1GAALMNA
SCHEMBL27979447 0.77 MAPT (0.50) KMT2AMAPTMEN1GAALMNA
SCHEMBL27733289 0.76 KMT2A (0.53) KMT2AMAPTMEN1GAALMNA
SCHEMBL13315322 0.76 PGR (0.58) KMT2AMAPTMEN1GAALMNA
SCHEMBL27733287 0.74 FNTA (0.51) KMT2AMAPTMEN1GAALMNA
SCHEMBL14036733 0.74 GAA (0.49) KMT2AMAPTMEN1GAALMNA
SCHEMBL8790210 0.73 MAPT (0.56) KMT2AMAPTMEN1GAALMNA

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-3140288-B1 PYRAZOLE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MEDIATORS US HEALTH (US) 2023-01-25 — — EP disclosed
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