SCHEMBL9503410

SCHEMBL9503410

O=C1CNc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
PGR P06401 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TDP2 O95551 1/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43

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
SCHEMBL193560 0.78 MEN1 (0.61) CAPN9CASP3MAPTNPC1RAB9A
SCHEMBL31344376 0.78 MEN1 (0.61) CAPN9CASP3MAPTNPC1RAB9A
SCHEMBL29242097 0.78 MEN1 (0.61) CAPN9CASP3MAPTNPC1RAB9A
SCHEMBL24982 0.77 MAPT (0.49) CAPN9CASP3MAPTNPC1RAB9A
SCHEMBL11553443 0.76 MAPT (0.44) CAPN9CASP3PGRMAPTNPC1
Hydrochloric Acid SCHEMBL1997634 0.75 MAPT (0.47) CAPN9CASP3MAPTNPC1RAB9A
SCHEMBL2993057 0.75 TDP2 (0.67) CAPN9CASP3PGRMAPTRAB9A
SCHEMBL27542353 0.75 CAPN9 (0.54) CAPN9CASP3MAPTLMNAHPGD
SCHEMBL19954 0.75 PGR (0.71) CAPN9CASP3PGRLMNAHPGD
SCHEMBL516986 0.73 KIF11 (0.67) CAPN9CASP3PGRNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353531-B1 HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1993-04-21 EP disclosed
US-5089025-A HAIR DYE COMPOSITIONS AND CERTAIN 1,2,3,4-TETRAHYDRONITROQUINOXALINES USEFUL THEREIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-18 US disclosed
EP-0426719-A1 A HAIR DYE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-15 EP disclosed
WO-1990001050-A1 A HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-08 WO disclosed
EP-0353531-A1 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-07 EP disclosed