SCHEMBL4430879

SCHEMBL4430879

N#Cc1ccc2sc3ccccc3c2c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
DUSP3 P51452 1/20 0.39
BLM P54132 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
AR P10275 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL5111810 0.81 GPR3 (0.42) GPR3MAPTMEN1KMT2APOLB
SCHEMBL28245430 0.80 GPR3 (0.48) GPR3MAPTMEN1KMT2APOLB
SCHEMBL21692521 0.76 SLC22A12 (0.36) GPR3MAPTMEN1KMT2AMCL1
SCHEMBL24871562 0.76 AR (0.33) ARIMPDH2RAB9A
SCHEMBL24860131 0.75 AR (0.30) ARSLC22A12
SCHEMBL24871693 0.75 AR (0.33) AR
SCHEMBL1636538 0.74 GPR3 (0.68) GPR3MAPTMEN1KMT2APOLB
SCHEMBL24871555 0.72 IMPDH2 (0.34) GPR3MAPTMEN1KMT2APOLB
SCHEMBL21693075 0.72 ESR2 (0.38) GPR3MCL1ALDH1A1HPGDCYP1A2
SCHEMBL21692645 0.72 SLC22A12 (0.35) GPR3MAPTMEN1KMT2APOLB

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
CN-115295879-A Dibenzothiophene electrolyte additive, electrolyte and lithium battery 陕西奥林波斯电力能源有限责任公司 2022-11-04 CN disclosed
EP-2121706-A1 TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER Merck Patent GmbH (DE) 2009-11-25 EP disclosed
EP-2121684-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES Merck Patent GmbH (DE) 2009-11-25 EP disclosed
WO-2008113452-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
WO-2008113456-A1 TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
EP-1885702-A2 QUINAZOLINONES Merck Patent GmbH (DE) 2008-02-13 EP disclosed
CN-1976936-A Tetrahydroquinolines MERCK PATENT GMBH (DE) 2007-06-06 CN disclosed
CN-1902190-A 2- (hetero) aryl-substituted tetrahydroquinoline derivatives MERCK PATENT GMBH (DE) 2007-01-24 CN disclosed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 WO disclosed