SCHEMBL27787693

SCHEMBL27787693

O=C(O)c1cc([N+](=O)[O-])c2cc(Cl)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.50
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
VCAM1 P19320 2/20 0.44
HCAR3 P49019 2/20 0.43
TPMT P51580 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL30714879 0.86 CASP6 (0.64) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL8960516 0.86 CASP6 (0.64) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL27787689 0.82 CASP6 (0.50) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL27787852 0.82 CASP6 (0.50) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL7243262 0.80 MEN1 (0.62) CASP6TSHRLMNAMEN1KMT2A
Methyl Alcohol SCHEMBL8967197 0.77 MEN1 (0.59) CASP6TSHRLMNAMEN1KMT2A
Dimethylformamide SCHEMBL29870179 0.76 HCAR3 (0.55) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL10945219 0.76 CASP6 (0.62) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL11775176 0.76 CASP6 (0.58) CASP6TSHRLMNAMEN1KMT2A
SCHEMBL741721 0.76 PRMT1 (0.59) TSHRLMNAMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101759565-B Method for synthesizing 6-halogeno-2-naphthoate UNIV EAST CHINA SCIENCE & TECH 2013-08-21 CN disclosed
CN-101759565-A Method for synthesizing 6-halogeno-2-naphthoate UNIV EAST CHINA SCIENCE & TECH 2010-06-30 CN disclosed