SCHEMBL31376983

SCHEMBL31376983

CCc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3ncc(C(=O)O)s3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ HTT P42858 3/20 0.60
▸ TDP1 Q9NUW8 4/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ PTPN7 P35236 1/20 0.57
▸ PTPN12 Q05209 1/20 0.57
▸ GPR35 Q9HC97 1/20 0.57
▸ PTPN22 Q9Y2R2 1/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.57
▸ MEN1 O00255 9/20 0.55
▸ KMT2A Q03164 9/20 0.55
▸ POLB P06746 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MYC P01106 2/20 0.54
▸ PSMD14 O00487 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ MITF O75030 2/20 0.49
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL31376948 0.83 GPR35 (0.64) ALDH1A1HTTTDP1RAB9APTPN7
SCHEMBL31376970 0.81 TDP1 (0.83) TDP1RAB9APTPN7PTPN12GPR35
SCHEMBL31376975 0.79 TDP1 (0.57) ALDH1A1HTTTDP1RAB9APTPN7
SCHEMBL31376923 0.79 MYC (0.68) ALDH1A1HTTTDP1RAB9APTPN7
SCHEMBL31377011 0.78 GPR35 (0.65) ALDH1A1HTTTDP1RAB9APTPN7
SCHEMBL31377010 0.78 KMT2A (0.75) HTTTDP1RAB9APTPN7PTPN12
SCHEMBL31376994 0.78 NPC1 (0.65) ALDH1A1HTTTDP1RAB9APTPN7
SCHEMBL31377003 0.78 GPR35 (0.64) ALDH1A1TDP1RAB9APTPN7PTPN12
SCHEMBL31377033 0.78 NPC1 (0.72) ALDH1A1TDP1RAB9APTPN7PTPN12
SCHEMBL31376962 0.78 GPR35 (0.66) ALDH1A1TDP1RAB9APTPN7PTPN12

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
WO-2025064325-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2025-03-27 — — WO disclosed
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