SCHEMBL2693785

SCHEMBL2693785

[c]1ccc(Sc2ccccc2)c(-c2ccccc2)c1Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL6659062 0.82 MAPT (0.32) MAPTKDM4ENSD2MAPK1LMNA
SCHEMBL8749824 0.82 MAPT (0.39) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL4450055 0.73 SIRT1 (0.40) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL11822569 0.68 MAPT (0.42) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL17292796 0.68 MAPK1 (0.59) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL1549590 0.67 MAPT (0.41) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL3790004 0.67 MAPT (0.49) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL10388324 0.67 TUBB4A (0.34) MAPTKDM4ENSD2MAPK1TUBB4A
Hydrogen Sulfide SCHEMBL28060126 0.67 MAPK1 (0.58) MAPTKDM4ENSD2MAPK1TUBB4A
SCHEMBL16581614 0.66 MAPT (0.33) MAPTKDM4ENSD2MAPK1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11181519-B2 System and method for differential diagnosis of diseases TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-11-23 US disclosed
US-20190271685-A1 SYSTEM AND METHOD FOR DIFFERENTIAL DIAGNOSIS OF DISEASES TECHNION RESEARCH & DEVLOPMENT FOUNDATION LIMITED (IL) 2019-09-05 US disclosed
US-9528979-B2 Breath analysis of pulmonary nodules TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2016-12-27 US disclosed
US-8945935-B2 Diagnosing, prognosing and monitoring multiple sclerosis TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2015-02-03 US disclosed
US-20130150261-A1 BREATH ANALYSIS OF PULMONARY NODULES TEL HASHOMER MEDICAL RESEARCH, INFRASTRUCTURE AND SERVICES LTD. (IL) 2013-06-13 US disclosed
US-20130034910-A1 DIAGNOSING, PROGNOSING AND MONITORING MULTIPLE SCLEROSIS RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2013-02-07 US disclosed
US-20120104362-A1 Formation of ordered thin films of organics on metal oxide surfaces NATIONAL SCIENCE FOUNDATION 2012-05-03 US disclosed
US-20050285101-A1 Formation of ordered thin films of organics on metal oxide surfaces NATIONAL SCIENCE FOUNDATION 2005-12-29 US disclosed
WO-2005122293-A2 FORMATION OF ORDERED THIN FILMS OF ORGANICS ON METAL OXIDE SURFACES PRINCETON UNIVERSITY (US) 2005-12-22 WO disclosed