SCHEMBL9360223

SCHEMBL9360223

O=C(O)Nc1cc([N+](=O)[O-])cc(Cl)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.61
AKT1 P31749 2/20 0.61
CYTH3 O43739 1/20 0.61
GPR35 Q9HC97 1/20 0.56
ALDH1A1 P00352 4/20 0.47
AKR1B1 P15121 1/20 0.47
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
AURKA O14965 1/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
GMNN O75496 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 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
SCHEMBL9360691 0.86 PDPK1 (0.56) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL20265727 0.83 PDPK1 (0.54) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL11867406 0.83 PDPK1 (0.54) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL9762855 0.82 MAPT (0.53) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL9359744 0.82 PDPK1 (0.53) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL9762934 0.82 PDPK1 (0.53) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL18152701 0.81 PDPK1 (0.52) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL1028879 0.81 KMT2A (0.62) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL1028878 0.81 KMT2A (0.62) PDPK1AKT1CYTH3GPR35ALDH1A1
SCHEMBL4800113 0.80 GPR35 (0.59) PDPK1AKT1CYTH3GPR35ALDH1A1

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
EP-0376047-B1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same WELLA AG (DE) 1994-05-04 EP claimed
EP-0376047-B1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same WELLA AG (DE) 1994-05-04 EP disclosed
EP-0376047-A1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same Wella Aktiengesellschaft (DE) 1990-07-04 EP disclosed