SCHEMBL10698083

SCHEMBL10698083

CCCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MCL1 Q07820 1/20 0.40
MAPT P10636 8/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
WDR5 P61964 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10697943 0.94 MAPT (0.41) NPC1RAB9AMCL1MAPTKMT2A
SCHEMBL10698960 0.94 MAPT (0.41) NPC1RAB9AMCL1MAPTKMT2A
SCHEMBL10699997 0.89 MAPT (0.51) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL2489397 0.89 KMT2A (0.44) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL2485998 0.89 MAPT (0.46) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL10693972 0.87 NPC1 (0.41) NPC1RAB9AMCL1MAPTKMT2A
SCHEMBL10709260 0.87 MAPT (0.49) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL10710954 0.87 MAPT (0.39) NPC1RAB9AMAPTKMT2ALMNA
SCHEMBL10531293 0.86 NPC1 (0.38) NPC1RAB9AMCL1MAPTKMT2A
SCHEMBL10698512 0.86 MAPT (0.43) NPC1RAB9AMCL1MAPTKMT2A

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-4778898-A CROSSLINKED, HEAT RESISTANT POLYMERS; ADHESIVES, INSULATION, PLASTICS CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed