SCHEMBL28985155

SCHEMBL28985155

NCCc1ccsc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
LTA4H P09960 3/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7744563 0.89 LTA4H (0.50) TAAR1HTR1DHTR1BLTA4HMEN1
Iodide SCHEMBL7901573 0.87 LTA4H (0.49) TAAR1HTR1DHTR1BLTA4HMEN1
SCHEMBL30536884 0.85 LTA4H (0.50) TAAR1HTR1DHTR1BLTA4HMEN1
SCHEMBL5171835 0.83 DPP4 (0.41) LTA4HMEN1KMT2AKDM4EALDH1A1
SCHEMBL4585925 0.81 LTA4H (0.38) LTA4HMEN1KMT2AKDM4EALDH1A1
SCHEMBL14646142 0.81 TAAR1 (0.36) TAAR1HTR1DHTR1BLTA4H
SCHEMBL1224308 0.79 ADK (0.43) LTA4HMEN1KMT2AKDM4EALDH1A1
SCHEMBL4585059 0.77 ADK (0.40) LTA4HMEN1KMT2AKDM4EALDH1A1
SCHEMBL29244541 0.77 LTA4H (0.37) LTA4HMEN1KMT2AKDM4EALDH1A1
SCHEMBL4583876 0.77 ADORA1 (0.41) LTA4HMEN1KMT2AKDM4EALDH1A1

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-218831179-U Perovskite X-ray detector 无锡极电光能科技有限公司 2023-04-07 CN claimed
CN-218831179-U Perovskite X-ray detector 无锡极电光能科技有限公司 2023-04-07 CN disclosed