SCHEMBL30530239

SCHEMBL30530239

Brc1ccnc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.56
CYP3A4 P08684 2/20 0.55
MAOB P27338 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 1/20 0.49
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
MAOA P21397 2/20 0.47
GRM4 Q14833 1/20 0.46
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL26355932 1.00 IP6K1 (0.56) IP6K1CYP3A4MAOBNPC1RAB9A
SCHEMBL1486580 0.82 IP6K1 (0.56) IP6K1CYP3A4MAOBNPC1RAB9A
SCHEMBL3899573 0.82 IP6K1 (0.56) IP6K1CYP3A4MAOBNPC1RAB9A
SCHEMBL30440566 0.81 GRM4 (0.56) IP6K1CYP3A4MAOBNPC1RAB9A
SCHEMBL3399608 0.80 IP6K1 (0.56) IP6K1CYP3A4MAOBNPC1RAB9A
SCHEMBL17502535 0.79 MEN1 (0.40) IP6K1CYP3A4MAOBRAB9AMAOA
SCHEMBL30530243 0.79 MAOB (0.61) IP6K1CYP3A4MAOBNPC1RAB9A
SCHEMBL26355935 0.79 LMNA (0.64) IP6K1CYP3A4MAOBPLAUPLAT
SCHEMBL30530234 0.79 LMNA (0.64) IP6K1CYP3A4MAOBPLAUPLAT
SCHEMBL26355934 0.79 MAOB (0.61) IP6K1CYP3A4MAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583303-B Tripterine conjugates and uses thereof 瑞阳公司 2026-05-12 CN disclosed
CN-116583303-A Tripterine conjugates and uses thereof 瑞阳公司 2023-08-11 CN disclosed