SCHEMBL8951990

SCHEMBL8951990

Cn1nc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.44
KDM4E B2RXH2 2/20 0.40
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MITF O75030 1/20 0.35
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL9202274 0.82 PKM (0.47) PKMKDM4EMAPTSMN1; SMN2ALPL
SCHEMBL1730 0.82 PKM (0.61) PKMKDM4EMAPTLMNAALDH1A1
SCHEMBL19224194 0.80 PKM (0.42) PKMKDM4EMAPTSMN1; SMN2MITF
SCHEMBL28376978 0.79 PKM (0.41) PKMKDM4EMAPTSMN1; SMN2MITF
SCHEMBL28380603 0.77 PKM (0.40) PKMKDM4EMAPTSMN1; SMN2MITF
SCHEMBL26664506 0.76 PKM (0.42) PKMKDM4EMAPTSMN1; SMN2POLB
SCHEMBL1002 0.76 SMN1; SMN2 (0.40) PKMKDM4EMAPTSMN1; SMN2MITF
SCHEMBL15942014 0.73 PKM (0.40) PKMKDM4EMAPTSMN1; SMN2POLB
SCHEMBL939 0.73 SMN1; SMN2 (0.38) PKMKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL27309366 0.73 SMN1; SMN2 (0.44) PKMKDM4EMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5339242-A None JP disclosed
US-5545608-A EFFECTIVE AGAINST PADDY WEEDS WHILE SAFE FOR RICE PLANTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
EP-0638555-A1 PYRAZOLEGLYCOLAMIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-02-15 EP disclosed
EP-0627423-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AND AGROHORTICULTURAL BACTERICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1994-12-07 EP disclosed
JP-H05339242-A PRODUCTION OF 5-CHLORO-4-NITROPYRAZOLE DERIVATIVE NISSAN CHEM IND LTD 1993-12-21 JP disclosed