SCHEMBL7474520

SCHEMBL7474520

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.46
MEN1 O00255 11/20 0.46
RAB9A P51151 10/20 0.46
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 9/20 0.46
NPC1 O15118 8/20 0.46
HPGD P15428 8/20 0.46
MAPT P10636 7/20 0.46
HSD17B10 Q99714 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 1/20 0.46
CTNNB1 P35222 1/20 0.46
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.39
MITF O75030 1/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 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
Hydrochloric Acid SCHEMBL6850196 0.79 KDM4E (0.45) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL8148244 0.79 MEN1 (0.42) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL6855899 0.79 KDM4E (0.65) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL3946877 0.78 KMT2A (0.50) KMT2AMEN1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8150702 0.77 KMT2A (0.49) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL6856405 0.76 POLB (0.48) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL11603518 0.76 KDM4E (0.54) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL6855708 0.73 ALDH1A1 (0.50) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL7443932 0.70 KMT2A (0.51) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL10164304 0.66 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847271-B1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE OREAL (FR) 2002-05-02 EP disclosed
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
EP-0847271-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1998-06-17 EP disclosed
WO-1997049378-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1997-12-31 WO disclosed