SCHEMBL2653390

SCHEMBL2653390

c1cnc2c(-c3ncc[nH]3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MMP2 P08253 2/20 0.52
MTOR P42345 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MMP9 P14780 1/20 0.52
NFKB1 P19838 1/20 0.52
MMP8 P22894 1/20 0.52
CCR1 P32246 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL26259985 0.79 CSNK1A1 (0.49) TSHRSMN1; SMN2MTORKDM4ETP53
SCHEMBL12075533 0.79 CCR1 (0.53) TSHRLMNASMN1; SMN2MMP2MTOR
SCHEMBL30184687 0.78 CCR1 (0.75) TSHRLMNASMN1; SMN2MMP2MTOR
SCHEMBL1282008 0.78 CCR1 (0.75) TSHRLMNASMN1; SMN2MMP2MTOR
SCHEMBL26259965 0.77 NISCH (0.54) MTORKDM4ECYP3A4CYP2D6CSNK1A1
SCHEMBL51007 0.76 ADRA2A (0.54) SMN1; SMN2MTORKDM4EMAPTTP53
SCHEMBL9287236 0.76 NISCH (0.64) SMN1; SMN2MTORKDM4ECYP3A4CYP2D6
SCHEMBL7537761 0.76 CSNK1A1 (0.49) MTORKDM4ETDP1CSNK1A1TYRO3
Hydrochloric Acid SCHEMBL28957351 0.75 ADRA2A (0.56) LMNASMN1; SMN2MTORKDM4EMAPT
SCHEMBL9864565 0.75 LMNA (0.52) TSHRLMNASMN1; SMN2MMP2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278011-A Fluorescent probe for identifying bimetallic ions and preparation and application methods thereof 湖北师范大学 2021-08-20 CN claimed
CN-113278011-A Fluorescent probe for identifying bimetallic ions and preparation and application methods thereof 湖北师范大学 2021-08-20 CN disclosed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 EP disclosed
EP-1799241-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2007-06-27 EP disclosed
WO-2006036770-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2006-04-06 WO disclosed
EP-1635832-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2006-03-22 EP disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 WO disclosed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO disclosed
WO-2004009015-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO., INC. (US) 2004-01-29 WO disclosed
US-4503233-A POLYNUCLEOTIDES INTERNATIONALE OCTROOI MAATSCHAPPIJ "OCTROPA" BV (NL) 1985-03-05 US disclosed