SCHEMBL9564261

SCHEMBL9564261

CCCCCC(=O)Nc1nc(NC(=O)CCCCC)nc(NC(=O)CCCCC)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ADORA1 P30542 1/20 0.55
HSP90AA1 P07900 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
FAAH O00519 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 2/20 0.49
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DEGS1 O15121 1/20 0.49
POLB P06746 1/20 0.49
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.47
PDE5A O76074 1/20 0.47

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
SCHEMBL13227316 0.98 KMT2A (0.55) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL17451133 0.91 KMT2A (0.50) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL17451128 0.89 KMT2A (0.49) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL27864381 0.87 KMT2A (0.50) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL31403451 0.86 KMT2A (0.49) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL31374318 0.86 KMT2A (0.49) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL7237360 0.85 ADORA1 (0.54) KMT2AADORA1RAB9ASMN1; SMN2MEN1
SCHEMBL9564243 0.85 ADORA1 (0.59) KMT2AADORA1NPC1RAB9ASMN1; SMN2
Potassium SCHEMBL31403450 0.84 KMT2A (0.48) KMT2AADORA1HSP90AA1NPC1RAB9A
SCHEMBL22610228 0.81 LMNA (0.58) KMT2AADORA1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238752-B2 Bituminous composition with thermoreversible properties TOTAL RAFFINAGE MARKETING (FR) 2016-01-19 US disclosed
US-20130298800-A1 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTALENERGIES ONETECH (FR) 2013-11-14 US disclosed
US-20100192804-A1 BITUMINOUS COMPOSITION WITH THERMOREVERSIBLE PROPERTIES TOTAL RAFFINAGE MARKETING (FR) 2010-08-05 US disclosed
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed