SCHEMBL5358028

SCHEMBL5358028

CN1C(=O)C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CES2 O00748 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CES1 P23141 1/20 0.39
MPI P34949 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK10 P53779 1/20 0.31
POLB P06746 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL14081321 0.83 ATM (0.48) ATMALDH1A1MAPTCES2PKM
SCHEMBL359232 0.78 ATM (0.52) ATMALDH1A1MAPTCES2PKM
SCHEMBL5348896 0.75 ALDH1A1 (0.33) ATMALDH1A1MAPTCES2PKM
SCHEMBL5346222 0.75 SMN1; SMN2 (0.41) ATMALDH1A1MAPTCES2PKM
SCHEMBL5357157 0.74 MEN1 (0.59) ATMALDH1A1MAPTCES2PKM
SCHEMBL14559334 0.72 RECQL (0.40) ATMALDH1A1MAPTCES2PKM
SCHEMBL16435781 0.72 ATM (0.39) ATMALDH1A1MAPTCES2PKM
SCHEMBL15937720 0.72 SMN1; SMN2 (0.44) ATMALDH1A1MAPTCES2PKM
SCHEMBL12083706 0.72 ALDH1A1 (0.33) ATMALDH1A1MAPTCES2PKM
SCHEMBL11523095 0.71 ATM (0.38) ATMALDH1A1MAPTCES2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7195851-B2 Charge-transfer material and process for producing the same, electron-transfer agent, photoreceptor for electrophotography and organic electroluminescence element using said charge-transfer material YAMANASHI ELECTRONICS CO., LTD. (JP) 2007-03-27 US disclosed
US-7195851-B2 Charge-transfer material and process for producing the same, electron-transfer agent, photoreceptor for electrophotography and organic electroluminescence element using said charge-transfer material YAMANASHI ELECTRONICS CO., LTD. (JP) 2007-03-27 US disclosed
US-20060134539-A1 Charge-transfer material and process for producing the same, electron-transfer agent, photoreceptor for electrophotography and organic electroluminescence element using said charge-transfer material PERMACHEM ASIA (JP) 2006-06-22 US disclosed