SCHEMBL9632156

SCHEMBL9632156

Nc1ccc(/C=C/c2ccc([N+](=O)[O-])c(CBr)c2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
PTPN1 P18031 5/20 0.39
CASP6 P55212 2/20 0.38
PTPN2 P17706 2/20 0.38
PTPN6 P29350 2/20 0.38
CDC25B P30305 1/20 0.38
RCE1 Q9Y256 1/20 0.38
DTYMK P23919 1/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 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
SCHEMBL9633098 0.89 ALDH1A1 (0.43) ALDH1A1TDP1LMNACYP3A4ALOX15
SCHEMBL9632158 0.82 LMNA (0.37) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL9632491 0.78 DTYMK (0.49) PTPN1CASP6PTPN2PTPN6DTYMK
SCHEMBL9630808 0.77 DTYMK (0.60) PTPN1CASP6PTPN2PTPN6DTYMK
SCHEMBL7521863 0.77 KMT2A (0.61) ALDH1A1TDP1KDM4EGLAPTPN1
SCHEMBL7652882 0.77 KMT2A (0.61) ALDH1A1TDP1KDM4EGLAPTPN1
SCHEMBL10336239 0.73 ALDH1A1 (0.45) ALDH1A1TDP1LMNACYP3A4ALOX15
SCHEMBL9632531 0.71 TUBB4A (0.38) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL7643058 0.71 CASP6 (0.64) LMNACASP6KMT2AMEN1POLB
SCHEMBL23143213 0.71 PTPN1 (0.67) ALDH1A1TDP1KDM4EGLAPTPN1

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-0359795-B1 ZWITTERION NLO-CHROMOPHORES MERCK PATENT GmbH (DE) 1992-04-15 EP disclosed