SCHEMBL7743246

SCHEMBL7743246

O=C(c1ccccc1)c1ccccc1CS

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.55
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CYP19A1 P11511 1/20 0.50
FOLH1 Q04609 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.44
ATM Q13315 3/20 0.44
CDC25B P30305 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
SRD5A2 P31213 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 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
SCHEMBL11036287 0.85 AKR1C3 (0.61) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL28423359 0.83 AKR1C3 (0.59) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL29898649 0.82 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL417620 0.82 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL5609837 0.82 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL723171 0.82 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL29881091 0.82 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1CYP19A1
SCHEMBL2356669 0.81 FOLH1 (0.70) GAAMAPTALDH1A1FOLH1TSHR
Benzene SCHEMBL1931924 0.81 FOLH1 (0.70) GAAMAPTALDH1A1FOLH1TSHR
SCHEMBL9358998 0.80 L3MBTL1 (0.52) AKR1C3GAAMAPTALDH1A1CYP19A1

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
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed
CN-101097934-A Solid state image pickup device, method for manufacturing the same, semiconductor device and method for manufacturing the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2008-01-02 CN disclosed
EP-0888389-A4 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2001-03-14 EP disclosed
EP-0888389-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SurModics, Inc. (US) 1999-01-07 EP disclosed
WO-1997034935-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS BSI CORPORATION (US) 1997-09-25 WO disclosed