SCHEMBL24384355

SCHEMBL24384355

C=Cc1ccc(C#CS)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL2430307 0.76 ALDH1A1 (0.59) ALDH1A1TSHRFFAR1
SCHEMBL6514299 0.73 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL473081 0.72 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL7639 0.72 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL8767071 0.72 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL22722365 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL436135 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL1738978 0.70 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL127502 0.70 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL6522801 0.70 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8CHRNB2

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
EP-3593399-B1 BLOCK COPOLYMER ELECTROLYTE FOR LITHIUM BATTERIES BLUE SOLUTIONS CANADA INC (CA) 2022-05-04 — — EP disclosed
Send feedback