SCHEMBL10895100

SCHEMBL10895100

CCCCCNc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.70
MAPT P10636 7/20 0.60
PKM P14618 2/20 0.60
POLB P06746 2/20 0.60
PRSS1 P07477 4/20 0.54
KAT2B Q92831 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.51
CRHBP P24387 1/20 0.51
RAB9A P51151 1/20 0.51
CRHR2 Q13324 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL8509227 0.96 HCAR3 (0.69) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL10888166 0.90 HCAR3 (0.68) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL111519 0.85 PRSS1 (0.55) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL4980984 0.84 HCAR3 (0.58) HCAR3MAPTPKMPOLBKAT2B
SCHEMBL29306545 0.84 HCAR3 (0.67) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL14906561 0.84 KAT2B (0.74) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL10891363 0.83 HCAR3 (0.66) HCAR3MAPTPKMPOLBKAT2B
SCHEMBL1170111 0.83 HCAR3 (0.66) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL20968369 0.83 HCAR3 (0.66) HCAR3MAPTPKMPOLBPRSS1
SCHEMBL10428098 0.83 HCAR3 (0.66) HCAR3MAPTPKMPOLBPRSS1

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-4575378-A Substituted 4-amino-3-nitrophenols, processes for their preparation and hair-coloring agents containing these compounds HANS SCHWARZKOPF GMBH (DE) 1986-03-11 US disclosed