SCHEMBL26849481

SCHEMBL26849481

C=C(NCCC)c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TRPA1 O75762 2/20 0.35
ATM Q13315 1/20 0.35
P2RX7 Q99572 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
AKR1B10 O60218 1/20 0.35
ABCB11 O95342 1/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM1 P11229 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
SCHEMBL20247998 0.86 MAOA (0.46) HTTMAOAMAOBKMT2AMEN1
SCHEMBL2228385 0.79 MEN1 (0.54) HTTMAOBKMT2AMEN1PTGDR2
SCHEMBL20861172 0.75 KMT2A (0.45) HTTMAOAMAOBKMT2AMEN1
SCHEMBL22383534 0.74 ALDH1A1 (0.45) HTTKMT2AGAATSHRL3MBTL1
SCHEMBL20248000 0.73 NAAA (0.51) HTTTSHRL3MBTL1PTGS2
SCHEMBL20133884 0.73 CYP1A2 (0.35) HTTKMT2AMEN1GAAL3MBTL1
SCHEMBL22030308 0.72 MAOA (0.42) HTTMAOAMAOBKMT2AMEN1
SCHEMBL6547365 0.71 TRPA1 (0.48) HTTMAOAMAOBKMT2AMEN1
SCHEMBL20865394 0.71 MAOA (0.49) HTTMAOAMAOBGAAL3MBTL1
SCHEMBL24403082 0.70 NAAA (0.42) HTTGAATSHRL3MBTL1LMNA

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-4072670-B1 QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARM SPA (IT) 2023-11-22 EP disclosed