SCHEMBL24809281

SCHEMBL24809281

C/C1=C/c2ccccc2N(C(C)(C)I)Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL23569668 1.00 NPC1 (0.33) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL23255179 0.90 SMN1; SMN2 (0.33) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL26698297 0.79 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL23255184 0.77 HSD17B3 (0.38) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL19313202 0.77 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL21186552 0.76 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL21308092 0.74 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL24994576 0.74 HSD17B3 (0.43) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL21066068 0.73 MAPT (0.35) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL24865833 0.72 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MAPTPKM

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
WO-2022270549-A1 NOVEL POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2022-12-29 WO disclosed