SCHEMBL11744751

SCHEMBL11744751

Cc1c(N)cc(C(=O)O)c([N+](=O)[O-])c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 5/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
HNF4A P41235 2/20 0.39
CDC25B P30305 1/20 0.36
CASP6 P55212 1/20 0.36
RCE1 Q9Y256 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
SCHEMBL28776906 0.86 TDP1 (0.53) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4964088 0.81 TDP1 (0.57) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9556010 0.81 TDP1 (0.57) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2299148 0.76 PKM (0.50) TDP1KDM4EALDH1A1CYP3A4ALOX15
SCHEMBL13365083 0.76 ALDH1A1 (0.60) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL29112021 0.76 PKM (0.46) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL2427891 0.76 ALDH1A1 (0.56) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL561310 0.76 PKM (0.50) TDP1KDM4EALDH1A1CYP3A4ALOX15
SCHEMBL8671212 0.76 TSHR (0.59) TDP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL3478112 0.76 TSHR (0.59) TDP1MEN1KMT2AALDH1A1CYP3A4

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-4011323-A ANTIOBESITY AND ANTIDIABETIC SANDOZ, INC. (US) 1977-03-08 US disclosed