SCHEMBL10544754

SCHEMBL10544754

COC(=O)CC(=S)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
ALDH1A1 P00352 4/20 0.46
ALOX12 P18054 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 5/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3166061 0.81 ERCC5 (0.62) ERCC5FEN1KMT2ANPC1RAB9A
SCHEMBL17526417 0.77 NPC1 (0.46) ERCC5FEN1ALDH1A1ALOX12KMT2A
SCHEMBL13163159 0.74 HPGD (0.58) ALDH1A1KMT2ANPC1RAB9AHPGD
SCHEMBL101601 0.72 TSHR (0.63) ERCC5FEN1ALDH1A1ALOX12KMT2A
SCHEMBL8701488 0.72 ALDH1A1 (0.45) ERCC5FEN1ALDH1A1ALOX12KMT2A
SCHEMBL29702037 0.72 TSHR (0.63) ERCC5FEN1ALDH1A1ALOX12KMT2A
SCHEMBL29716616 0.72 ALDH1A1 (0.45) ERCC5FEN1ALDH1A1ALOX12KMT2A
SCHEMBL13468195 0.71 KMT2A (0.58) ERCC5FEN1ALDH1A1KMT2ANPC1
SCHEMBL15018447 0.71 TSHR (0.61) ALDH1A1ALOX12KMT2AKDM4EMAPT
SCHEMBL8328257 0.71 ERCC5 (0.40) ERCC5FEN1ALDH1A1ALOX12KMT2A

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
US-4829076-A CARDIOVASCULAR DISORDERS ALKALOIDA VEGYESZETI GYAR (HU) 1989-05-09 US disclosed