SCHEMBL27944468

SCHEMBL27944468

O=[SH](=O)c1nccn1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HCAR1 Q9BXC0 1/20 0.43
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.36
GSR P00390 1/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
NCF1 P14598 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 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
SCHEMBL4866386 0.76 NPC1 (0.46) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL5638922 0.76 NPC1 (0.49) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL28330184 0.76 PI4KA (0.49) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL9405397 0.76 NPC1 (0.49) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL28367072 0.75 NPC1 (0.45) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL31202561 0.74 CYP2A6 (0.46) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL27659057 0.73 P2RX4 (0.46) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL27719924 0.72 NPC1 (0.42) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL31202688 0.70 NPC1 (0.46) NPC1MAPK1HCAR1PI4KAPI4K2B
SCHEMBL23017552 0.69 HTR2C (0.40) NPC1MAPK1HCAR1PI4KAPI4K2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103365080-B Photosensitive composition 住友化学株式会社 2019-04-26 CN disclosed
CN-103365080-A Colored photopolymer composition SUMITOMO CHEMICAL CO 2013-10-23 CN disclosed