SCHEMBL30862914

SCHEMBL30862914

O=S(=O)(Nc1ccncc1)C1CNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SGK1 O00141 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP2 Q13309 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
SCHEMBL31678785 0.83 PTGS1 (0.53) ALDH1A1PTGS1PTGS2KMT2AL3MBTL1
SCHEMBL29757486 0.80 KMT2A (0.47) ALDH1A1PTGS1PTGS2KMT2AMEN1
SCHEMBL31678874 0.72 PTGS1 (0.47) ALDH1A1PTGS1PTGS2CYP2C9NAMPT
SCHEMBL14241688 0.69 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL30610165 0.67 APLNR (0.46) PTGS1PTGS2OPRM1HDAC4
SCHEMBL27953545 0.66 CA1 (0.60) ALDH1A1CTSD
SCHEMBL27673209 0.66 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL1423573 0.66 KEAP1 (0.60) ALDH1A1PTGS1PTGS2KMT2AL3MBTL1
SCHEMBL30282963 0.64 ROCK2 (0.56) ALDH1A1KMT2AL3MBTL1NAMPTMEN1
SCHEMBL2447209 0.64 HDAC4 (0.47) ALDH1A1PTGS1PTGS2KMT2AOPRM1

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-114728168-B Triazole carbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2024-04-09 — — CN disclosed
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