SCHEMBL1129836

SCHEMBL1129836

Cc1cccc(-c2ccncc2)c1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PIK3CD O00329 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NOTUM Q6P988 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2C P18825 1/20 0.37
JAK2 O60674 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28167749 0.81 PDCD1 (0.44) ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL1130348 0.79 CYP2A6 (0.53) LMNAMAPTCYP17A1CYP1A2ADRA2C
Fluoride SCHEMBL28296216 0.79 PDCD1 (0.42) ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL13000747 0.79 ALDH1A1 (0.44) MGAMGAASIMGAM2PIK3CD
SCHEMBL1903369 0.79 NOTUM (0.50) MGAMGAASIMGAM2LMNA
SCHEMBL12339135 0.78 CYP1A2 (0.54) MGAMGAASIMGAM2PIK3CD
SCHEMBL16283932 0.77 CYP17A1 (0.47) CYP17A1CYP1A2
Hydrochloric Acid SCHEMBL29948123 0.77 NOTUM (0.48) MGAMGAASIMGAM2LMNA
Iodide SCHEMBL28741644 0.77 NOTUM (0.48) MGAMGAASIMGAM2LMNA
SCHEMBL1423704 0.76 ALDH1A1 (0.50) MGAMGAASIMGAM2PIK3CD

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-2952256-B1 METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
EP-2952256-A1 METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS Deutschland GmbH (DE) 2015-12-09 EP disclosed
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
CN-101678354-A The Preparation of catalysts that is used for bisphenol production DOW GLOBAL TECHNOLOGIES INC 2010-03-24 CN disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed