SCHEMBL30488665

SCHEMBL30488665

NN1C=CC(=C2C=CN(CCCS)C=C2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 2/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29757632 0.73 APP (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29725221 0.72 MEN1 (0.44) MEN1KMT2ATDP1
SCHEMBL29725218 0.72 MEN1 (0.44) MEN1KMT2ATDP1
Bromide SCHEMBL29657994 0.72 MEN1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30241688 0.67 MEN1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11291375 0.64 NPC1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL15413813 0.63 NPC1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
Bromide SCHEMBL31435799 0.63 NPC1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29937101 0.63 NPC1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
Bromide SCHEMBL30020235 0.63 NPC1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1

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-114824398-B Polyacrylic acid grafted polymer flow battery system 中盐金坛盐化有限责任公司 2023-07-25 CN claimed