SCHEMBL8148244

SCHEMBL8148244

Cc1cc(NC(C)O)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.38
GPR39 O43194 2/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
CLK1 P49759 1/20 0.34
PDE2A O00408 2/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NR2F2 P24468 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
SCHEMBL7474520 0.79 KMT2A (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3947238 0.78 PDE2A (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6856405 0.77 POLB (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL11603518 0.77 KDM4E (0.54) MEN1KMT2APOLBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL8150701 0.76 PDE2A (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6855708 0.74 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6855899 0.69 KDM4E (0.65) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL26253848 0.69 PKM (0.42) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL10164304 0.67 ALDH1A1 (0.47) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL23327762 0.66 CDK2 (0.38) MEN1KMT2APOLBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6099593-A (DI)AMINO-SUBSTITUTED PYRAZOLO(1,5-A)PYRIMIDINES AS OXIDATION BASE; PRODUCE INTENSE COLORATIONS AND WHICH HAVE GOOD RESISTANCE TO EXTERNAL AGENTS SUCH AS LIGHT, WEATHER, WASHING, ARE READILY SYNTHESIZABLE AND ARE CHEMICALLY STABLE L'OREAL (FR) 2000-08-08 US disclosed