SCHEMBL11510885

SCHEMBL11510885

COC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(C)cc2)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TBXA2R P21731 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
SCHEMBL11511671 0.91 VCAM1 (0.43) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL11000446 0.85 VCAM1 (0.44) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL11000444 0.85 VCAM1 (0.44) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL11004620 0.84 GAA (0.41) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL11511421 0.82 ALDH1A1 (0.43) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL573293 0.81 VCAM1 (0.47) MAPTLMNAALDH1A1POLBMAPK1
SCHEMBL573292 0.81 VCAM1 (0.47) MAPTLMNAALDH1A1POLBMAPK1
SCHEMBL21436415 0.80 VCAM1 (0.41) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL21436513 0.80 VCAM1 (0.41) MAPTKMT2AALDH1A1GAAPOLB
SCHEMBL21436994 0.80 VCAM1 (0.41) MAPTKMT2AALDH1A1GAAPOLB

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
US-4172142-A DIURETICS FOR TREATMENT OF EDEMA HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-23 — — US disclosed
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