SCHEMBL10348148

SCHEMBL10348148

O=[N+]([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
HIF1A Q16665 1/20 0.47
MAPK1 P28482 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
F2 P00734 2/20 0.39

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
SCHEMBL25300424 0.86 ALDH1A1 (0.40) PKMHIF1AMAPK1TSHRALDH1A1
SCHEMBL10347988 0.83 PHOSPHO1 (0.43) HIF1ATSHRALDH1A1HPGDGABRA2
SCHEMBL10632971 0.81 TDP1 (0.42) HIF1AALDH1A1TDP1MAPTNOTUM
SCHEMBL10718846 0.80 ALDH1A1 (0.43) HIF1AMAPK1TSHRALDH1A1GABRA2
SCHEMBL22518629 0.78 MGAM (0.53) PKMHIF1AALDH1A1TDP1MAPT
SCHEMBL18153033 0.78 HSD17B10 (0.47) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL11487178 0.78 CHRM1 (0.50) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL26260329 0.77 MAPT (0.48) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL31039845 0.74 F2 (0.43) PKMTSHRALDH1A1HPGDTDP1
SCHEMBL10582824 0.73 MGAM (0.36) HIF1ATSHRALDH1A1HPGDTDP1

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-0200872-B1 HERBICIDAL AND INSECTICIDAL AGENT BASED ON PYRAZOL DERIVATIVES BAYER AG (DE) 1990-04-18 EP disclosed
US-4746354-A PRE- AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-05-24 US disclosed
EP-0200872-A1 Herbicidal and insecticidal agent based on pyrazol derivatives BAYER AG (DE) 1986-11-12 EP disclosed