SCHEMBL7937740

SCHEMBL7937740

COc1cc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
PDE7A Q13946 1/20 0.50
MERTK Q12866 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.43
S1PR4 O95977 1/20 0.43
HSP90AA1 P07900 1/20 0.43
S1PR1 P21453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10817393 0.91 ALDH1A1 (0.56) TDP1MERTKALDH1A1HTTLMNA
SCHEMBL31009380 0.88 PDE7A (0.57) TDP1PDE7AMERTKALDH1A1HTT
SCHEMBL16792372 0.86 ALDH1A1 (0.57) TDP1MERTKALDH1A1HTTLMNA
Chlomethoxyfen SCHEMBL8538106 0.86 TDP1 (0.68) TDP1PDE7AALDH1A1HTTLMNA
Chlomethoxyfen SCHEMBL38653 0.86 TDP1 (0.68) TDP1PDE7AALDH1A1HTTLMNA
SCHEMBL4229158 0.85 ALDH1A1 (0.55) TDP1PDE7AMERTKALDH1A1HTT
SCHEMBL11781925 0.84 TDP1 (0.50) TDP1PDE7AMERTKALDH1A1HTT
SCHEMBL102625 0.84 TSHR (0.58) TDP1PDE7AALDH1A1LMNAL3MBTL1
SCHEMBL7005240 0.84 ALDH1A1 (0.47) TDP1MERTKALDH1A1HTTLMNA
SCHEMBL1298266 0.83 MERTK (0.52) TDP1MERTKALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316386-B1 HERBICIDES AND ANTIGROWTH AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed
US-4339462-A BACTERICIDES CIBA-GEIGY CORPORATION (US) 1982-07-13 US disclosed
US-4268693-A 3-Hydroxydiphenyl ethers CIBA-GEIGY CORPORATION (US) 1981-05-19 US disclosed