SCHEMBL9256004

SCHEMBL9256004

CC(Nc1nnc(-c2ccsc2)c2ccccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
FYN P06241 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
AURKB Q96GD4 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
EGFR P00533 4/20 0.40
SOS1 Q07889 1/20 0.40
CCNE2 O96020 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CDK4 P11802 2/20 0.40

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
SCHEMBL9255995 1.00 MAPT (0.44) MAPTKMT2AMEN1HTTGALR3
SCHEMBL14518050 0.85 MAPT (0.55) MAPTKMT2AMEN1HTTGALR3
SCHEMBL9358086 0.85 MAPT (0.55) MAPTKMT2AMEN1HTTGALR3
SCHEMBL13996078 0.75 CYP2A6 (0.57) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL9258918 0.75 GALR3 (0.41) MAPTKMT2AMEN1HTTGALR3
SCHEMBL9258908 0.75 GALR3 (0.41) MAPTKMT2AMEN1HTTGALR3
SCHEMBL28961841 0.72 GOT1 (0.53) MAPTKMT2AMEN1HTTGALR3
SCHEMBL28961875 0.72 GOT1 (0.53) MAPTKMT2AMEN1HTTGALR3
SCHEMBL28961838 0.72 GOT1 (0.53) MAPTKMT2AMEN1HTTGALR3
SCHEMBL12792096 0.71 MAPT (0.43) MAPTKMT2AMEN1HTTGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5462941-A 1-(cyclohexylalkylamino)-4-(phenyl, thienyl, or furyl) phthalazines; anti-platelet agglutination agents for treatment or prevention of cerebro- or cardiovascular disorders MITSUBISHI CHEMICAL CORPORATION (JP) 1995-10-31 US disclosed
EP-0534443-A1 3,6-Disubstituted pyridazine derivatives Mitsubishi Chemical Corporation (JP) 1993-03-31 EP disclosed