Dimpylate

Dimpylate

SCHEMBL3841005

CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1.[PbH2]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.97
TSHR P16473 4/20 0.97
CYP3A4 P08684 4/20 0.97
HSD17B10 Q99714 3/20 0.97
TP53 P04637 1/20 0.97
ACHE P22303 1/20 0.97
TDP1 Q9NUW8 5/20 0.59
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA3 P07451 1/20 0.30

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
Dimpylate SCHEMBL17453 0.99 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL6118696 0.99 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL28091934 0.97 ALDH1A1 (0.97) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL27949432 0.97 ALDH1A1 (0.97) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL6214077 0.97 ALDH1A1 (0.97) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL1344740 0.97 ALDH1A1 (0.97) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL6753267 0.97 ALDH1A1 (0.97) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL6891644 0.96 ALDH1A1 (0.94) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL4880297 0.96 ALDH1A1 (0.94) ALDH1A1TSHRCYP3A4HSD17B10TP53
Dimpylate SCHEMBL20770701 0.94 ALDH1A1 (0.92) ALDH1A1TSHRCYP3A4HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901348-A Augmenting VO in heart failure patients using cardiocontractile regulatory stimulation 2 Peak value 脉冲动力公司 2022-08-12 CN disclosed
EP-3069284-B1 COMPUTER-ASSISTED MODELING FOR TREATMENT DESIGN HINGE THERAPEUTICS INC (US) 2020-06-10 EP disclosed
US-20180261331-A1 COMPUTER-ASSISTED MODELING FOR TREATMENT DESIGN InfiniteBio 2018-09-13 US disclosed
EP-3069284-A1 COMPUTER-ASSISTED MODELING FOR TREATMENT DESIGN Infinitebio (US) 2016-09-21 EP disclosed
US-20150142408-A1 COMPUTER-ASSISTED MODELING FOR TREATMENT DESIGN HINGE THERAPEUTICS, INC. 2015-05-21 US disclosed
US-20150003595-A1 System, Method and Computer Program Product for a Universal Call Capture Device TRANSPARENCY SCIENCES LLC (US) 2015-01-01 US disclosed
US-20130110565-A1 System, Method and Computer Program Product for Distributed User Activity Management TRANSPARENCY SCIENCES, LLC (US) 2013-05-02 US disclosed
WO-2012148934-A1 SYSTEM, METHOD AND COMPUTER PROGRAM PRODUCT FOR DISTRIBUTED USER ACTIVITY MANAGEMENT TRANSPARENCY SCIENCES, LLC (US) 2012-11-01 WO disclosed
WO-2009035751-A1 DISTRIBUTED TRAIN CONTROL GENERAL ELECTRIC COMPANY (US) 2009-03-19 WO disclosed
US-7395141-B1 Distributed train control GENERAL ELECTRIC COMPANY (US) 2008-07-01 US disclosed