SCHEMBL9840603

SCHEMBL9840603

O=C1c2ccccc2C(=O)N1Cc1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.54
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 5/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
PKM P14618 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8436723 0.83 CASP3 (0.57) CASP3HPGDPOLBCA1CA2
SCHEMBL11461602 0.79 TDP1 (0.65)
SCHEMBL326305 0.77 CASP3 (0.85) CASP3HPGDCA12CA1CA2
SCHEMBL17029125 0.77 CASP3 (0.66) CASP3HPGDPOLBCA12CA1
SCHEMBL30472950 0.77 CASP3 (0.85) CASP3HPGDCA12CA1CA2
SCHEMBL22995827 0.74 CA9 (0.59) HPGDPOLBCA12CA1CA2
SCHEMBL2258501 0.73 KMT2A (0.70) CASP3HPGDCA12CA1CA2
SCHEMBL11167209 0.73 CASP3 (0.67) CASP3HPGDCA12CA1CA2
SCHEMBL10422349 0.72 RPS6KA2 (0.35) HPGDPOLBKMT2AMEN1ALDH1A1
SCHEMBL10422352 0.72 RPS6KA2 (0.35) HPGDPOLBKMT2AMEN1ALDH1A1

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-4992559-A Electrochromic displays, antistatic agents, pH detectors, electrodes COOKSON GROUP PLC (GB) 1991-02-12 US disclosed
EP-0253594-A2 Polymerisable thiophene monomers, their production and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 EP disclosed