SCHEMBL9863441

SCHEMBL9863441

[CH2]C(=O)c1cccc(SC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL1397499 0.84 PARP1 (0.57) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL27953642 0.83 ATM (0.52) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL29664414 0.82 HSD17B10 (0.70) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL571165 0.82 MEN1 (0.51) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL659462 0.82 HSD17B10 (0.70) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL19779298 0.80 CYP1A2 (0.47) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL9902272 0.80 CYP1A2 (0.47) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL16954466 0.79 HSD17B10 (0.48) MEN1KMT2ACYP1A2CYP2C9HPGD
Iodomethane SCHEMBL6315426 0.78 HSD17B10 (0.66) MEN1KMT2ACYP1A2CYP2C9HPGD
SCHEMBL22482430 0.78 L3MBTL1 (0.63) MEN1KMT2ACYP1A2CYP2C9HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US claimed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed