SCHEMBL13616379

SCHEMBL13616379

Cc1ccccc1CNc1ccc(C=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
BRD4 O60885 2/20 0.44
BRD9 Q9H8M2 1/20 0.44
MAPK14 Q16539 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.42
KAT2B Q92831 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.41
ELANE P08246 1/20 0.40
P2RX7 Q99572 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL2599918 0.84 ALDH1A1 (0.50) MAP4K4ATMLMNASMN1; SMN2NPC1
SCHEMBL1882774 0.84 VNN1 (0.47) MAP4K4ATMLMNASMN1; SMN2NPC1
SCHEMBL13115741 0.81 MAP4K4 (0.49) MAP4K4ATMLMNASMN1; SMN2NPC1
SCHEMBL3685097 0.80 POLB (0.57) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL29952768 0.80 POLB (0.57) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10692338 0.80 MAPT (0.46) LMNANPC1RAB9ABRD4BRD9
SCHEMBL12640349 0.78 CYP3A4 (0.46) ATMSMN1; SMN2NPC1PKMRAB9A
SCHEMBL19828921 0.77 NPSR1 (0.51) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19302385 0.77 ATM (0.47) ATMLMNASMN1; SMN2NPC1PKM
SCHEMBL21386707 0.77 MAPK10 (0.46) LMNAPKMMAPK14MAPTHTT

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
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed