SCHEMBL8006080

SCHEMBL8006080

Cc1cc(C)cc(NC2=C(C#N)CCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.57
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.37
THRB P10828 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDR P35968 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8015461 0.79 LMNA (0.57) LMNAMAPTPOLBALDH1A1TDP1
SCHEMBL8017798 0.72 MAPT (0.71) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL8017383 0.72 MAPT (0.71) LMNAMAPTPOLBALDH1A1TDP1
SCHEMBL8006281 0.72 MAPT (0.60) LMNAMAPTPOLBALDH1A1TDP1
SCHEMBL5682845 0.71 MAPT (0.55) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL8015744 0.69 MAPT (0.66) LMNAMAPTALDH1A1TDP1MAPK1
SCHEMBL8015787 0.68 LMNA (0.48) LMNAMAPTPOLBALDH1A1TDP1
SCHEMBL8019313 0.65 MAPT (0.48) LMNAMAPTPOLBALDH1A1TDP1
SCHEMBL1323030 0.65 RAPGEF4 (0.65) MAPTALDH1A1SMN1; SMN2RAPGEF4THRB
SCHEMBL9786706 0.64 MAPT (0.47) LMNAMAPTPOLBALDH1A1TDP1

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-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed