SCHEMBL31336718

SCHEMBL31336718

Cc1cc(Cl)c(-c2ncccn2)c(C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KMO O15229 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MYC P01106 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL31336734 0.85 S1PR4 (0.44) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL31336711 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL22866606 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL31372556 0.70 GRM5 (0.40) ALDH1A1SMN1; SMN2MYCKDM4EMAPT
SCHEMBL264270 0.70 HCRTR2 (0.50) ALDH1A1MYCKDM4EMAPTCYP3A4
SCHEMBL30775045 0.70 HCRTR2 (0.50) ALDH1A1MYCKDM4EMAPTCYP3A4
SCHEMBL2486255 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1
Lithium SCHEMBL607039 0.69 HCRTR2 (0.49) ALDH1A1MYCKDM4EMAPTCYP3A4
SCHEMBL607037 0.69 HCRTR2 (0.49) ALDH1A1MYCKDM4EMAPTCYP3A4
SCHEMBL3389041 0.67 ALOX15 (0.42) ALDH1A1SMN1; SMN2MAPK1KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO claimed
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO disclosed
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 EP disclosed
EP-4688155-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS Bial-Portela & CA, S.A. (PT) 2026-02-11 EP disclosed
WO-2025023852-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 WO disclosed