SCHEMBL7916876

SCHEMBL7916876

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HCAR3 P49019 1/20 0.48
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL7594505 0.84 SMN1; SMN2 (0.41) POLBHCAR3AKR1C3AKR1C2AKR1C1
SCHEMBL7596229 0.83 KMT2A (0.42) HCAR3AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL7910018 0.83 L3MBTL1 (0.49) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL7598810 0.81 RAB9A (0.56) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL7596218 0.81 LMNA (0.43) HCAR3AKR1C3AKR1C2AKR1C1RAB9A
SCHEMBL7910012 0.80 FBP1 (0.43) POLBAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL7593575 0.79 KDM4C (0.42) POLBAKR1C3AKR1C2AKR1C1NPC1
SCHEMBL7596958 0.79 KDM4E (0.46) POLBHCAR3AKR1C3AKR1C2AKR1C1
SCHEMBL7593569 0.78 RAB9A (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL7594895 0.78 RAB9A (0.49) NPC1RAB9AALDH1A1HTTMAPT

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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US disclosed