SCHEMBL1820608

SCHEMBL1820608

N#Cc1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2ccc(C(=O)O)cc2)CCO3)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.48
▸ CPT1A P50416 7/20 0.47
▸ CPT2 P23786 4/20 0.47
▸ MCL1 Q07820 1/20 0.42
▸ CPT1B Q92523 6/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ RORC P51449 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ GPR119 Q8TDV5 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
SCHEMBL1818674 0.87 CYP2C9 (0.53) CYP2C9CPT1ACPT2CPT1BMEN1
SCHEMBL1818909 0.86 PKM (0.48) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL12818531 0.85 PKM (0.45) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL1820750 0.85 CYP2C9 (0.42) CYP2C9MEN1KMT2ANR1H3RORC
SCHEMBL1818351 0.83 PIK3CA (0.39) CYP2C9MEN1KMT2ANR1H3RORC
SCHEMBL12818115 0.83 NPC1 (0.42) CYP2C9MCL1MEN1KMT2ANR1H3
SCHEMBL12818920 0.82 MEN1 (0.40) CYP2C9MCL1MEN1KMT2ANR1H3
SCHEMBL12818970 0.82 MEN1 (0.40) CYP2C9MCL1MEN1KMT2ANR1H3
SCHEMBL1819540 0.81 PKM (0.41) CYP2C9CPT1ACPT2MEN1KMT2A
SCHEMBL1820314 0.81 MEN1 (0.42) CYP2C9CPT1ACPT1BMEN1KMT2A

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
WO-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 — — WO claimed
WO-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 — — WO disclosed
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