SCHEMBL30335331

SCHEMBL30335331

O=C(O)c1ccccc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
KMT2A Q03164 1/20 0.56
MKNK1 Q9BUB5 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
DHODH Q02127 1/20 0.55
CYP19A1 P11511 1/20 0.53
KMO O15229 2/20 0.53
CYP2A6 P11509 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL1173860 1.00 HTT (0.56) HTTKMT2AMKNK1MKNK2DHODH
SCHEMBL29504659 1.00 HTT (0.56) HTTKMT2AMKNK1MKNK2DHODH
SCHEMBL10968862 0.87 HTT (0.54) HTTKMT2AMKNK1MKNK2DHODH
Pyridine SCHEMBL9227339 0.87 ALDH1A1 (0.58) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2457558 0.85 HTT (0.52) HTTKMT2AMKNK1MKNK2DHODH
SCHEMBL10364611 0.85 MKNK1 (0.56) HTTKMT2AMKNK1MKNK2DHODH
SCHEMBL30705023 0.85 MKNK1 (0.56) HTTKMT2AMKNK1MKNK2DHODH
Pyrimidine SCHEMBL9228494 0.85 CHRNB2 (0.55) HTTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28790988 0.85 HNF4A (0.56) HTTKMT2AMKNK1MKNK2DHODH
SCHEMBL11614420 0.85 NPC1 (0.63) HTTKMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102082-A1 ALKYLPHENYL SUBSTITUTED COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
CN-116234549-A Salt-induced kinase inhibitors 总医院公司 2023-06-06 CN disclosed
CN-115916748-A Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-04-04 CN disclosed