SCHEMBL3375646

SCHEMBL3375646

CCCCc1ccc(N(c2ccc(C=O)cc2)c2cccc(SC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
HPGD P15428 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4862712 0.90 CYP3A4 (0.36) HPGDCA1CA2GRIN2DGRIN3B
SCHEMBL4862718 0.90 CYP3A4 (0.36) HPGDCA1CA2GRIN2DGRIN3B
SCHEMBL4870140 0.90 CA2 (0.40) ALDH1A1HPGDCA1CA2SMN1; SMN2
SCHEMBL3373785 0.85 KCNH2 (0.35) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL14488420 0.85 CNR2 (0.40) CA1CA2MAPTSMN1; SMN2SIGMAR1
SCHEMBL5387057 0.84 ALDH1A1 (0.36) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL13989148 0.84 ALDH1A1 (0.41) ALDH1A1ALDH3A1ALDH1A3HPGDCA1
SCHEMBL3373957 0.83 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3HPGDCA1
SCHEMBL24478976 0.78 KCNH2 (0.51) ALDH1A1ALDH3A1ALDH1A3THRATHRB
SCHEMBL2410952 0.78 KCNH2 (0.51) ALDH1A1ALDH3A1ALDH1A3THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
US-7232913-B2 Paracyclophane molecules for two-photon absorption applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-19 US disclosed
US-7232913-B2 Paracyclophane molecules for two-photon absorption applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-19 US disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed