SCHEMBL10530352

SCHEMBL10530352

COc1ccc(Nc2ccc(N)cc2[N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.71
AKR1C2 P52895 8/20 0.71
MAPT P10636 8/20 0.61
HPGD P15428 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
AKR1B10 O60218 2/20 0.61
AKR1B1 P15121 2/20 0.61
AKR1C4 P17516 2/20 0.61
AKR1C1 Q04828 2/20 0.61
CTSV O60911 1/20 0.56
CTSL P07711 1/20 0.56
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNMA1 Q12791 1/20 0.51

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
SCHEMBL9094091 0.85 AKR1C3 (0.82) AKR1C3AKR1C2MAPTHPGDMEN1
SCHEMBL10531801 0.84 MAPT (0.56) AKR1C3AKR1C2MAPTHPGDMEN1
SCHEMBL9622892 0.84 MAPT (0.56) AKR1C3AKR1C2MAPTHPGDMEN1
SCHEMBL10531772 0.81 L3MBTL1 (0.52) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL22720146 0.81 CTSV (0.81) AKR1C3AKR1C2MAPTHPGDMEN1
SCHEMBL23567 0.81 AKR1C3 (0.67) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL29785279 0.81 AKR1C3 (0.67) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL29377063 0.81 AKR1C3 (0.67) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL109591 0.81 MAPT (0.53) AKR1C3AKR1C2MAPTHPGDMEN1
SCHEMBL22720113 0.80 MEN1 (0.72) AKR1C3AKR1C2MAPTHPGDMEN1

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
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US claimed
US-4859206-A Hair dye preparations containing nitrodiphenylamine derivative HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-08-22 US disclosed