SCHEMBL11000446

SCHEMBL11000446

COC(=O)c1cc([N+](=O)[O-])c(-c2ccc(C)cc2)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ MAX P61244 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ USP10 Q14694 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL11000444 1.00 VCAM1 (0.44) VCAM1LMNAGAAMEN1KMT2A
SCHEMBL573280 0.91 VCAM1 (0.45) VCAM1LMNAGAAMEN1KMT2A
SCHEMBL573281 0.91 VCAM1 (0.45) VCAM1LMNAGAAMEN1KMT2A
SCHEMBL21436487 0.87 VCAM1 (0.43) VCAM1MEN1KMT2AERN1MAPT
SCHEMBL21436486 0.87 VCAM1 (0.43) VCAM1MEN1KMT2AERN1MAPT
SCHEMBL11510885 0.85 MAPT (0.43) VCAM1LMNAGAAMEN1KMT2A
SCHEMBL11511421 0.84 ALDH1A1 (0.43) VCAM1LMNAGAAMEN1KMT2A
SCHEMBL10996368 0.84 GAA (0.43) LMNAGAAKMT2AMAPTCYP2C9
SCHEMBL10996371 0.84 GAA (0.43) LMNAGAAKMT2AMAPTCYP2C9
SCHEMBL573292 0.82 VCAM1 (0.47) VCAM1LMNAMAPTALDH1A1PKM

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-4492710-A Substituted pyrrolidinyl-benzoic acid derivatives and a process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-08 — — US disclosed
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