SCHEMBL8699013

SCHEMBL8699013

CCOC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
PPIA P62937 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL1251501 0.84 ALDH1A1 (0.67) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL11086969 0.83 ALDH1A1 (0.74) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11522897 0.82 CYP3A4 (0.65) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL9659046 0.81 KMT2A (0.70) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL31171019 0.80 HTT (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL358946 0.80 HTT (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6491164 0.80 HPGD (0.76) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL18527908 0.79 ALDH1A1 (0.46) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL18527910 0.79 ALDH1A1 (0.46) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL3787254 0.79 CYP1A2 (0.59) ALDH1A1HPGDNPC1RAB9ACYP1A2

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
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed