SCHEMBL10401423

SCHEMBL10401423

CC(=O)OC(C)CNC(=O)OCCN(C(=O)c1cncc(Br)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 3/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CASP3 P42574 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL9525947 0.90 NPC1 (0.39) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL10401397 0.89 NPC1 (0.42) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9526289 0.84 NPC1 (0.48) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10401163 0.82 ALDH1A1 (0.34) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9525705 0.82 NPC1 (0.47) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9525693 0.82 POLB (0.35) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9526212 0.81 SMN1; SMN2 (0.39) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9524002 0.81 NPC1 (0.44) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9525476 0.81 POLB (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL9525183 0.80 POLB (0.45) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed