SCHEMBL10498670

SCHEMBL10498670

CCCCCCCCCCCCCCCCc1ccc(C(=S)C=Cc2cc(N)cc(N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ ATG4B Q9Y4P1 11/20 0.45
▸ PLA2G1B P04054 9/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TNNC1 P63316 5/20 0.45
▸ SGPL1 O95470 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ GPR183 P32249 1/20 0.45
▸ CERS2 Q96G23 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.45

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
SCHEMBL10497705 0.89 THRA (0.44) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497709 0.86 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497532 0.86 THRA (0.52) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498768 0.86 THRA (0.47) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497344 0.85 THRA (0.51) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10497522 0.85 THRA (0.46) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9341440 0.84 SMN1; SMN2 (0.46) TDP1
SCHEMBL10497704 0.83 ATG4B (0.44) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL9338240 0.83 THRA (0.49) THRATHRBATG4BPLA2G1BCYP1A2
SCHEMBL10498041 0.82 THRA (0.44) THRATHRBATG4BPLA2G1BCYP1A2

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-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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