SCHEMBL16015597

SCHEMBL16015597

Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CCCF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 5/20 0.45
HCRTR1 O43613 2/20 0.45
NFKB1 P19838 2/20 0.45
STAT1 P42224 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
HSD17B10 Q99714 4/20 0.44
TP53 P04637 4/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
XBP1 P17861 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
SCHEMBL2687005 0.90 KDM4E (0.47) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10219624 0.89 NPC1 (0.49) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL2686319 0.88 NPC1 (0.48) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2686523 0.87 KDM4E (0.48) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2687098 0.87 KDM4E (0.45) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2688624 0.86 KMT2A (0.53) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2688713 0.86 NPC1 (0.44) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2687383 0.85 KDM4E (0.55) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2686969 0.84 NPC1 (0.47) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2687577 0.84 MEN1 (0.47) NPC1KDM4EALDH1A1HPGDSMN1; SMN2

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-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed