SCHEMBL31205930

SCHEMBL31205930

Cn1nccc1-c1ccnc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
ALDH1A1 P00352 2/20 0.41
COMT P21964 1/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 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
SCHEMBL22895800 1.00 IDH1 (0.41) IDH1ALDH1A1COMTMAPTGABRA1
SCHEMBL16877063 0.79 HSP90AA1 (0.46) ALDH1A1COMTMAPTKDM4ENPC1
SCHEMBL16505223 0.77 ALDH1A1 (0.43) IDH1ALDH1A1COMTMAPTCYP1A2
SCHEMBL18422770 0.75 ALDH1A1 (0.41) IDH1ALDH1A1COMTMAPTCYP1A2
SCHEMBL15726348 0.75 COMT (0.47) ALDH1A1COMTMAPTCYP1A2CYP3A4
SCHEMBL27315070 0.73 POLB (0.42) ALDH1A1MAPTGABRA1GABRG2GABRB3
SCHEMBL18171776 0.73 GABRA1 (0.41) ALDH1A1MAPTGABRA1GABRG2GABRB3
SCHEMBL17601377 0.72 IDO1 (0.44) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL29174633 0.72 ALDH1A1 (0.42) ALDH1A1COMTMAPTCYP1A2CYP3A4
SCHEMBL30725463 0.72 ALDH1A1 (0.42) ALDH1A1COMTMAPTCYP1A2CYP3A4

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
EP-4709723-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233544-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed