SCHEMBL24326730

SCHEMBL24326730

Sc1c(-c2ccc3cc4ccccc4c(S)c3c2)ccc2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GSTP1 P09211 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
ALOX5 P09917 1/20 0.35
CYP1A2 P05177 4/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2B6 P20813 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
SCHEMBL3630050 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1ALOX5
SCHEMBL22062943 0.78 ESR1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1GSTP1
SCHEMBL2779798 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1GPR84
Methane SCHEMBL9858673 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1GPR84
SCHEMBL22062942 0.74 HSD17B1 (0.32) GSTP1GPR84ESR2ESR1
SCHEMBL3089735 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL9467706 0.71 CYP1A2 (0.41) ALDH1A1HSD17B10CYP1B1GPR84CYP1A2
SCHEMBL9470179 0.71 NR4A2 (0.43) ALDH1A1HSD17B10CYP1B1GPR84CYP1A2
SCHEMBL1527420 0.71 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1GSTP1
SCHEMBL4520388 0.71 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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
US-20220339952-A1 LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-10-27 US disclosed
US-20220118787-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed