SCHEMBL8136459

SCHEMBL8136459

Nc1nc(/C([C]=O)=N\OCc2c[nH]cn2)cs1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
GABRA5 P31644 1/20 0.30
GABRB2 P47870 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8136460 1.00 NPC1 (0.34) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL10402861 0.89 NPC1 (0.32) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL10402859 0.89 NPC1 (0.32) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL9328922 0.84 NPC1 (0.42) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL8121798 0.82 MEN1 (0.40) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL10430090 0.82 NPC1 (0.34) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL8121794 0.81 MEN1 (0.39) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL8121792 0.81 MEN1 (0.39) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL10402863 0.80 NPC1 (0.32) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL9143711 0.79 MEN1 (0.41) NPC1RAB9AMAPTMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525057-B1 ANTIMICROBIAL QUINOLONYL LACTAMS PROCTER & GAMBLE PHARMA (US) 2000-06-14 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed