SCHEMBL1919944

SCHEMBL1919944

COc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)C(C(=O)O)c2cc(OC)ccc2S(=O)(=O)N(CC(=O)N2CCCCC2c2ccccc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
OXTR P30559 4/20 0.42
AVPR1A P37288 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
PKM P14618 1/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
MAPT P10636 5/20 0.42
TP53 P04637 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1920212 0.98 CRHBP (0.44) CRHBPCRHR2OXTRAVPR1ANPSR1
SCHEMBL1920870 0.94 OXTR (0.46) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1920294 0.92 MDM4 (0.48) CRHBPCRHR2OXTRAVPR1ANPSR1
SCHEMBL1920350 0.91 MAPT (0.43) OXTRAVPR1ANPSR1PKMMDM4
SCHEMBL1920502 0.89 LMNA (0.41) CRHBPCRHR2NPSR1PSEN1PSEN2
SCHEMBL1920366 0.88 MDM4 (0.42) OXTRAVPR1ANPSR1PKMMDM4
SCHEMBL1919721 0.88 CRHBP (0.38) CRHBPCRHR2OXTRAVPR1APSEN1
SCHEMBL1920213 0.87 KMT2A (0.41) CRHBPCRHR2OXTRAVPR1ANPSR1
SCHEMBL1920221 0.86 CRHBP (0.40) CRHBPCRHR2NPSR1PSEN1PSEN2
SCHEMBL1920824 0.86 KMT2A (0.43) OXTRAVPR1ANPSR1PKMMDM4

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
EP-2245006-B1 SULFONAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-01 EP disclosed