SCHEMBL9500788

SCHEMBL9500788

CC1CNc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
PNMT P11086 3/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
HTT P42858 1/20 0.42
SNCA P37840 1/20 0.40
CAPN9 O14815 1/20 0.40
CASP3 P42574 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
CHRNB2 P17787 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
SCHEMBL257552 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAAPNMTADRA2A
SCHEMBL6968655 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAAPNMTADRA2A
SCHEMBL12813209 0.76 CHRNB4 (0.49) ALDH1A1SMN1; SMN2GAAPNMTADRA2A
SCHEMBL4429953 0.75 PNMT (0.52) ALDH1A1SMN1; SMN2GAAPNMTADRA2A
SCHEMBL24982 0.74 MAPT (0.49) ALDH1A1PNMTADRA2ANPC1MAPT
SCHEMBL6648137 0.74 PNMT (0.51) ALDH1A1SMN1; SMN2GAAPNMTADRA2A
SCHEMBL2857664 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAPNMTADRA2A
SCHEMBL30570974 0.73 CYP1A2 (0.38) ALDH1A1SMN1; SMN2GAANPC1MAPT
SCHEMBL29070709 0.73 CYP1A2 (0.38) ALDH1A1SMN1; SMN2GAANPC1MAPT
Hydrochloric Acid SCHEMBL1997634 0.73 MAPT (0.47) ALDH1A1PNMTADRA2ANPC1MAPT

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