SCHEMBL4592372

SCHEMBL4592372

O=C(O)C(S)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNN4 O15554 4/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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
Ethane SCHEMBL14127500 0.95 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL5052363 0.80 MAPT (0.56) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL112992 0.79 CYP1A2 (0.52) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL1127623 0.78 CES1 (0.57) CYP1A2MAPTKMT2ATSHRALDH1A1
SCHEMBL6829887 0.75 MAPT (0.50) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL15125000 0.75 CYP1A2 (0.60) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL27489968 0.75 HDAC3 (0.47) CYP1A2CYP2D6MAPTKMT2AALDH1A1
SCHEMBL27642 0.72 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL45520 0.72 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL9617044 0.72 CYP1A2 (0.56) CYP1A2CYP2D6MAPTKMT2ATSHR

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-4432977-A Method for dilating the smooth muscles of the upper urinary tract WILLIAM P. POYTHRESS & COMPANY (US) 1984-02-21 US claimed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed