SCHEMBL9878951

SCHEMBL9878951

CCCCCCSc1cnccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC22A12 Q96S37 11/20 0.41
AR P10275 2/20 0.41
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CLK1 P49759 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HASPIN Q8TF76 1/20 0.38

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
SCHEMBL1024806 0.81 KMT2A (0.51) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL5983793 0.78 PTGS2 (0.49) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL2980868 0.78 PTGS2 (0.49) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL8519336 0.76 PTGS2 (0.48) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL2557627 0.76 TSHR (0.50) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL2550694 0.76 TSHR (0.50) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL2552925 0.76 TSHR (0.50) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL8569987 0.76 TSHR (0.50) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL8565067 0.76 TSHR (0.50) MEN1KMT2AKDM4ETSHRGAA
SCHEMBL1745330 0.75 HASPIN (0.46) MEN1KMT2AKDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed