SCHEMBL17899372

SCHEMBL17899372

Cc1cc2cc3c(cc2cc1C)C(=O)c1cc2cc(C)c(C)cc2cc1C3

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.40
MAOA P21397 1/20 0.37
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL452078 0.81 ELANE (0.41) MAOAMAPTKMT2AMEN1LMNA
SCHEMBL17899373 0.80 HTT (0.32) HTTKDM4E
SCHEMBL12746735 0.76 MAOA (0.54) METAP1MAOAHTTMAPTKMT2A
SCHEMBL6904089 0.72 MAOA (0.67) METAP1MAOAMAPTKMT2AMEN1
SCHEMBL686651 0.71 ELANE (0.48) MAPTKMT2AMEN1LMNAATM
SCHEMBL1609651 0.71 METAP1 (0.71) METAP1MAOAMAPTKMT2AMEN1
SCHEMBL6056920 0.70 METAP1 (0.69) METAP1MAOAMAPTKMT2AMEN1
SCHEMBL10057992 0.70 ELANE (0.47) MAPTKMT2AMEN1LMNAATM
SCHEMBL9635646 0.69 MAOA (0.69) MAOAMAPTKMT2AMEN1KDM4E
SCHEMBL6056983 0.68 METAP1 (0.67) METAP1MAOAMAPTKMT2AMEN1

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