SCHEMBL6985894

SCHEMBL6985894

Cc1cc[nH]c1C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
PPARG P37231 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7572875 0.90 KMT2A (0.54) RORCKMT2AMEN1GAANPSR1
SCHEMBL10953243 0.80 HSD17B10 (0.62) RORCKMT2AMEN1GAAKDM4E
SCHEMBL5532280 0.76 CYP1A2 (0.62) RORCKMT2AMEN1GAAKDM4E
SCHEMBL7593343 0.76 KMT2A (0.57) RORCKMT2AMEN1GAAKDM4E
SCHEMBL11362155 0.76 MAPT (0.67) RORCKMT2AMEN1GAAKDM4E
SCHEMBL8306939 0.76 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL10729836 0.75 NPSR1 (0.68) RORCKMT2AMEN1GAAKDM4E
SCHEMBL10902402 0.74 NPSR1 (0.71) RORCKMT2AMEN1GAAKDM4E
SCHEMBL1762503 0.74 KMT2A (0.61) RORCKMT2AMEN1GAAKDM4E
SCHEMBL9383327 0.73 RORC (0.61) RORCKMT2AMEN1GAAKDM4E

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
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed