SCHEMBL10629544

SCHEMBL10629544

N#COc1ccc(OC#N)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
SLC6A4 P31645 6/20 0.35
HTR2A P28223 6/20 0.35
KCNH2 Q12809 5/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
MERTK Q12866 1/20 0.30
CSNK2A1 P68400 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 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
SCHEMBL30515471 0.83 AR (0.33) ARSLC6A4HTR2AKCNH2MERTK
SCHEMBL1740792 0.83 AR (0.33) ARSLC6A4HTR2AKCNH2MERTK
SCHEMBL12878122 0.83 HSP90AA1 (0.44) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL24393513 0.81 AHR (0.42) ARMRGPRX4
SCHEMBL9351955 0.81 SLC6A3 (0.47) SLC6A4KCNH2SLC6A2SLC6A3MRGPRX4
SCHEMBL29048033 0.80 CA12 (0.34) AR
SCHEMBL10978894 0.78
SCHEMBL21439789 0.78 ACHE (0.43) ARMRGPRX4
SCHEMBL18017131 0.78 SOS1 (0.44) SLC6A4HTR2AKCNH2
SCHEMBL16939068 0.78 HTR2A (0.42) ARSLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4254012-A Reinforced composites containing cyanato resins CIBA-GEIGY CORPORATION (US) 1981-03-03 US claimed
US-4754001-A POLYESTERS, HIGH PERFORMANCE BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0162241-B1 HEAT-CURABLE CYANATE RESIN AND ITS USE IN PREPARING COMPOSITES AND IPN'S BAYER AG (DE) 1987-09-30 EP disclosed
US-4631319-A WITH A POLYESTER, INTERPENETRATING POLYMER NETWORKS BAYER AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
EP-0162241-A1 Heat-curable cyanate resin and its use in preparing composites and IPN's BAYER AG (DE) 1985-11-27 EP disclosed
US-4254012-A Reinforced composites containing cyanato resins CIBA-GEIGY CORPORATION (US) 1981-03-03 US disclosed