SCHEMBL1820944

SCHEMBL1820944

COc1ccc(S(=O)(=O)N2CCSc3ccc(-c4ccc(C#N)s4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RYR2 Q92736 2/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ RORC P51449 4/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ PKLR P30613 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ USP2 O75604 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
SCHEMBL1819673 0.87 RORC (0.49) MMP2RORCCYP11B1CYP11B2MEN1
SCHEMBL1817520 0.87 RORC (0.47) MMP2RORCCYP11B1CYP11B2ALDH1A1
SCHEMBL1816713 0.86 MAPT (0.41) RORCKMT2ACNR1CNR2NR1I2
SCHEMBL1817173 0.85 RYR2 (0.47) RYR2MMP2RORCCYP11B1CYP11B2
SCHEMBL12817920 0.85 CYP11B1 (0.40) RORCCYP11B1ALDH1A1PKMCNR1
SCHEMBL12818521 0.82 CNR1 (0.37) RORCCYP11B1CYP11B2NPC1RAB9A
SCHEMBL12817913 0.82 CNR1 (0.37) RORCCYP11B1CYP11B2RAB9ACNR1
SCHEMBL1815424 0.82 KMT2A (0.37) RORCKMT2ACNR1CNR2NR1I2
SCHEMBL12818475 0.81 PKM (0.38) RORCPKMPKLRCNR1CNR2
SCHEMBL12817972 0.80 GAA (0.40) RORCMEN1KMT2AKDM4ECNR1

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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