SCHEMBL1818514

SCHEMBL1818514

Cc1cc(S(=O)(=O)N2CCOc3ccc(-c4ccc(C#N)s4)cc32)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ RORC P51449 3/20 0.38
▸ CPT2 P23786 2/20 0.38
▸ CPT1A P50416 2/20 0.38
▸ CPT1B Q92523 2/20 0.38
▸ TP53 P04637 2/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37

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
SCHEMBL1819897 0.93 MEN1 (0.42) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL12818531 0.88 PKM (0.45) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL1818674 0.88 CYP2C9 (0.53) TSHRCYP2C9MEN1KMT2ANPC1
SCHEMBL1820249 0.87 POLB (0.44) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL1818909 0.87 PKM (0.48) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL1820314 0.84 MEN1 (0.42) CYP2C9MEN1KMT2ANPC1MAPT
SCHEMBL1820750 0.83 CYP2C9 (0.42) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL1818351 0.83 PIK3CA (0.39) CYP2C9MEN1KMT2ANPC1PKM
SCHEMBL12818115 0.83 NPC1 (0.42) TSHRCYP2C9MEN1KMT2ANPC1
SCHEMBL12818920 0.83 MEN1 (0.40) CYP2C9MEN1KMT2ANPC1PKM

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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