SCHEMBL29139893

SCHEMBL29139893

CCn1c2ccccc2c2cccc(S)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 7/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HBB P68871 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
PGR P06401 1/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NSD2 O96028 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL14208786 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL15466547 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL17885720 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL9986337 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL8178240 0.80 ALKBH5 (0.59) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL30268631 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL3511142 0.79 KDM4E (0.56) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL30412874 0.79 KDM4E (0.56) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL16865773 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHTTHSD17B10
SCHEMBL9561245 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHTTHSD17B10

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-117181299-B Hybrid tubular photocatalytic material and preparation method thereof 桂林理工大学 2025-02-21 CN disclosed
CN-117181299-A Hybrid tubular photocatalytic material and preparation method thereof 桂林理工大学 2023-12-08 CN disclosed