SCHEMBL28328286

SCHEMBL28328286

O=C(c1[c]cccc1)N(Cl)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
FFAR2 O15552 1/20 0.34
NR3C1 P04150 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HDAC1 Q13547 2/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PLA2G4A P47712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AURKA O14965 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL28031695 0.79 NPC1 (0.47) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL11416538 0.72 NPSR1 (0.36) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL21061244 0.72 PLA2G7 (0.45) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL6791632 0.69 LMNA (0.41) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL27814455 0.69 ALDH1A1 (0.47) NPC1RAB9ALMNASMN1; SMN2L3MBTL1
SCHEMBL9408186 0.66 PLA2G4A (0.38) NPC1RAB9AHDAC1PLA2G4ACES1
SCHEMBL27631285 0.65 NPC1 (0.49) NPC1RAB9ALMNASMN1; SMN2TRPM8
SCHEMBL160477 0.65 SMN1; SMN2 (0.40) NPC1RAB9ALMNASMN1; SMN2TSHR
SCHEMBL4267937 0.64 NPC1 (0.47) NPC1RAB9ALMNASMN1; SMN2TRPM8
SCHEMBL6798392 0.64 LMNA (0.36) LMNATRPM8FFAR1FFAR4

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
CN-110198708-A Pharmaceutical composition for combination treatment 基恩菲特公司 2019-09-03 CN disclosed