SCHEMBL7664667

SCHEMBL7664667

c1cc(CSSCc2cccc(CN3CCCCC3)c2)cc(CN2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HRH3 Q9Y5N1 4/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL11192726 0.89 PRMT6 (0.78) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL11339852 0.89 PRMT6 (0.78) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL9839873 0.83 CYP2D6 (0.57) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL9839866 0.82 PRMT6 (0.55) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL10668086 0.81 PRMT6 (0.62) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL20209847 0.80 PRMT6 (0.66) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL111526 0.80 PRMT6 (0.96) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL3742515 0.80 PRMT6 (0.66) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL10849750 0.80 PRMT6 (0.66) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL155081 0.80 PRMT6 (0.66) PRMT6ALDH1A1SMN1; SMN2TDP1KDM4E

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-6495569-B1 CHEMOKINE ANTAGONISTS; TREATING DISEASE ASSOCIATED WITH INFLAMMATION AND/OR PATHOGENIC LEUKOCYTE RECRUITMENT AND/OR ACTIVATION MILLENNIUM PHARMACEUTICALS, INC. 2002-12-17 — — US disclosed
WO-2002085862-A1 IMIDAZOLIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 — — WO disclosed
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