SCHEMBL7294752

SCHEMBL7294752

CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPK1 P28482 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 1/20 0.60
PHGDH O43175 1/20 0.60
SERPINE1 P05121 1/20 0.60
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
GLA P06280 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
LMNA P02545 3/20 0.57
ATM Q13315 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL7302107 0.90 NPC1 (0.69) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL6171612 0.82 RAB9A (0.65) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL6169544 0.81 NPC1 (0.78) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL7303587 0.81 RAB9A (0.68) NPC1RAB9ASMN1; SMN2SERPINE1ALDH1A1
SCHEMBL7300373 0.80 RAB9A (0.58) NPC1RAB9AMAPK1SMN1; SMN2GAA
SCHEMBL7292066 0.80 KCNMA1 (0.69) NPC1RAB9ASMN1; SMN2SERPINE1ALDH1A1
SCHEMBL4129918 0.80 L3MBTL1 (0.54) RAB9AMAPK1ALDH1A1HTTLMNA
SCHEMBL7293409 0.80 SERPINE1 (0.67) NPC1RAB9ASMN1; SMN2GAASERPINE1
SCHEMBL7302295 0.79 SERPINE1 (0.65) NPC1RAB9ASMN1; SMN2GAASERPINE1
SCHEMBL7297665 0.78 SERPINE1 (0.72) NPC1RAB9ASMN1; SMN2GAASERPINE1

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
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed