SCHEMBL18524397

SCHEMBL18524397

Nc1[c]c(-c2ccccc2F)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.40
RAB9A P51151 10/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MPL P40238 1/20 0.39
GAA P10253 1/20 0.38
NOTUM Q6P988 2/20 0.36
ADORA2A P29274 1/20 0.36
HTR7 P34969 1/20 0.36
BACE1 P56817 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1086256 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23292573 0.69 KDM4E (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13960109 0.63 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL27594098 0.63 LMNA (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL29541546 0.63 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6817772 0.63 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3683732 0.63 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17532591 0.63 TDO2 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL197834 0.63 ACHE (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL29547174 0.63 ACHE (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
EP-2699566-B1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM CO LTD (KR) 2017-02-22 EP disclosed