SCHEMBL9739643

SCHEMBL9739643

CCNc1ccc(-c2[c]ccc(NCC)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ADRA2A P08913 4/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
LMNA P02545 1/20 0.36
RAD51 Q06609 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 2/20 0.31
CASR P41180 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 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
SCHEMBL7012895 0.73 LMNA (0.56) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL11544937 0.73 LMNA (0.56) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL8945843 0.73 MAPT (0.33) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL9738711 0.72 LIMK1 (0.41) KDM4EALDH1A1HPGD
SCHEMBL6491041 0.72 ALDH1A1 (0.38) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL27513090 0.71 LMNA (0.46) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL526383 0.71 MAPT (0.58) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL7800130 0.70 ALDH1A1 (0.45) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9480308 0.70 CNR2 (0.35) MAPTLMNAKDM4EALDH1A1
SCHEMBL20710 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed