SCHEMBL11610415

SCHEMBL11610415

COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39

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
SCHEMBL11744950 0.87 ALDH1A1 (0.51) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL11744939 0.87 ALDH1A1 (0.51) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL11616238 0.84 MAPT (0.42) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL343409 0.82 HTT (0.47) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL343408 0.82 ALDH1A1 (0.43) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL1941394 0.81 HTT (0.46) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL10966789 0.80 PPIA (0.40) ALDH1A1VCAM1CYP1A2GAAL3MBTL1
Methyl Alcohol SCHEMBL28097248 0.79 LMNA (0.55) LMNAALDH1A1MAPTCYP3A4KDM4E
SCHEMBL9354657 0.79 PKM (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2849735 0.79 TSHR (0.54) ALDH1A1MAPTKDM4EKMT2AMAPK1

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-4066457-A P-PHENYLENEDIAMINE DERIVATIVES GAF CORPORATION (US) 1978-01-03 — — US disclosed
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