SCHEMBL17899377

SCHEMBL17899377

Cc1ccc2c(c1)C(=O)c1ccc(N)cc1C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.56
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
ELANE P08246 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TLR9 Q9NR96 1/20 0.44
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4151697 0.89 CASP1 (0.54) METAP1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1611036 0.88 METAP1 (0.65) METAP1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL30426148 0.88 RAB9A (0.60) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL17891650 0.88 RAB9A (0.60) RAB9AALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1609651 0.86 METAP1 (0.71) METAP1ALDH1A1SMN1; SMN2MAPTELANE
SCHEMBL12891155 0.86 RAB9A (0.61) METAP1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6056920 0.84 METAP1 (0.69) METAP1ALDH1A1SMN1; SMN2MAPTELANE
SCHEMBL9973088 0.82 MAPT (0.62) METAP1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6056983 0.82 METAP1 (0.67) METAP1ALDH1A1SMN1; SMN2MAPTELANE
SCHEMBL11891506 0.82 METAP1 (0.71) METAP1RAB9AALDH1A1SMN1; SMN2MAPT

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-9718692-B2 Method for exfoliating carbonaceous materials containing graphite, assisted by a Diels-Alder reaction UNIVERSITÉ DE BORDEAUX (FR) 2017-08-01 US disclosed
US-20160194207-A1 METHOD FOR EXFOLIATING CARBONACEAOUS MATERIALS CONTAINING GRAPHITE, ASSISTED BY A DIELS-ALDER REACTION INSTITUT POLYTECHNIQUE DE BORDEAUX (FR) 2016-07-07 US disclosed