SCHEMBL31751133

SCHEMBL31751133

COc1cc(C#CC(C)O)ncn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.36
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30

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
SCHEMBL31750869 0.78 ACACB (0.37) ACACBKMT2A
SCHEMBL31546704 0.74 CYP2C19 (0.39) ACACBCYP2C19KDM4ENPC1RAB9A
SCHEMBL31546684 0.74 CYP2C19 (0.39) ACACBCYP2C19KDM4ENPC1RAB9A
SCHEMBL31751666 0.72 ELOVL1 (0.40) ACACBCYP2C19KDM4EMAPTKMT2A
SCHEMBL4405141 0.71 HPGDS (0.41) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL31546757 0.71 PDE2A (0.53) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL24922498 0.69 CYP2C19 (0.38) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL1478401 0.69 CYP2C19 (0.48) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL6386093 0.66 CYP2C19 (0.47) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL799179 0.65 CYP2C19 (0.40) CYP2C19KDM4ENPC1RAB9AMAPT

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-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 — — WO disclosed
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