SCHEMBL31019015

SCHEMBL31019015

Cc1cccc(C=NCCCC(C)C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 5/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 3/20 0.34

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
SCHEMBL21957547 1.00 NPC1 (0.45) NPC1CASP3SENP8SENP7SENP6
SCHEMBL21957549 1.00 NPC1 (0.45) NPC1CASP3SENP8SENP7SENP6
SCHEMBL16620449 0.84 CA2 (0.41) NPC1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL17985136 0.84 CA2 (0.41) NPC1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL21957535 0.83 SMN1; SMN2 (0.39) NPC1CASP3SENP8SENP7SENP6
SCHEMBL21957534 0.83 SMN1; SMN2 (0.39) NPC1CASP3SENP8SENP7SENP6
SCHEMBL21957532 0.83 NPC1 (0.50) NPC1CASP3SENP8SENP7SENP6
SCHEMBL21957533 0.83 NPC1 (0.50) NPC1CASP3SENP8SENP7SENP6
SCHEMBL21957550 0.83 NPC1 (0.50) NPC1CASP3SENP8SENP7SENP6
SCHEMBL21957548 0.83 NPC1 (0.50) NPC1CASP3SENP8SENP7SENP6

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
EP-3052531-B1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORP (JP) 2024-07-24 EP disclosed