SCHEMBL28965550

SCHEMBL28965550

O=C1NC(=S)SC1=Cc1cc(Cl)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 3/20 1.00
▸ CRHBP P24387 2/20 1.00
▸ CRHR2 Q13324 2/20 1.00
▸ PIM1 P11309 1/20 0.69
▸ PLA2G1B P04054 1/20 0.67
▸ ATG4B Q9Y4P1 1/20 0.67
▸ NAT1 P18440 5/20 0.64
▸ MYC P01106 1/20 0.64
▸ MAX P61244 1/20 0.64
▸ DNM1 Q05193 1/20 0.61
▸ CISD1 Q9NZ45 1/20 0.60
▸ IGF1R P08069 1/20 0.57
▸ GAA P10253 2/20 0.57
▸ MGAM O43451 1/20 0.57
▸ SI P14410 1/20 0.57
▸ MGAM2 Q2M2H8 1/20 0.57
▸ MEN1 O00255 1/20 0.52
▸ PSMD14 O00487 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ALPL P05186 1/20 0.52

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
SCHEMBL20535128 0.88 PTP4A3 (0.79) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL12204299 0.88 PTP4A3 (0.79) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL20535130 0.88 PTP4A3 (0.79) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL18102858 0.86 PTP4A3 (0.75) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL14899471 0.86 PTP4A3 (0.75) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL2065485 0.84 CRHBP (0.72) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL2065487 0.84 CRHBP (0.72) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL18102957 0.83 PTP4A3 (0.71) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL14610176 0.82 PTP4A3 (0.70) PTP4A3CRHBPCRHR2PIM1PLA2G1B
SCHEMBL28964145 0.82 PTP4A3 (1.00) PTP4A3CRHBPCRHR2PIM1PLA2G1B

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
CN-110156715-B Rhodanine derivative and preparation method and application thereof 山西大学 2023-03-10 — — CN disclosed
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