SCHEMBL30037588

SCHEMBL30037588

[2H]C([2H])([2H])c1cnc(C(=O)O)nc1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.41
▸ MBNL1 Q9NR56 1/20 0.40
▸ HTR5A P47898 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMO O15229 3/20 0.36
▸ DHFR P00374 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.36

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
SCHEMBL30037130 0.90 MBNL1 (0.47) DHODHMBNL1HTR5ACSNK2A2CSNK2B
SCHEMBL25552003 0.90 MBNL1 (0.47) DHODHMBNL1HTR5ACSNK2A2CSNK2B
SCHEMBL30035813 0.88 HTR5A (0.43) DHODHMBNL1HTR5AADORA2ANPC1
SCHEMBL25551942 0.80 KMO (0.42) DHODHMBNL1KMO
SCHEMBL30037152 0.80 KMO (0.42) DHODHMBNL1KMO
SCHEMBL30036507 0.79 KMO (0.47) DHODHCSNK2A2CSNK2BADORA2ANPC1
SCHEMBL25551806 0.79 KMO (0.47) DHODHCSNK2A2CSNK2BADORA2ANPC1
SCHEMBL30036500 0.78 HTR5A (0.48) DHODHMBNL1HTR5ANPC1RAB9A
SCHEMBL30036976 0.76 MBNL1 (0.43) DHODHMBNL1HTR5AADORA2ANPC1
SCHEMBL25552011 0.76 MBNL1 (0.43) DHODHMBNL1HTR5AADORA2ANPC1

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
CN-115515940-A Inhibitors of receptor interacting protein kinase I for the treatment of disease 德州大学系统董事会 2022-12-23 — — CN disclosed
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