SCHEMBL5338489

SCHEMBL5338489

C=CCN(CC=C)c1cccc2[s+]c3ccccc3nc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4756517 0.77 MAPT (0.39) ALDH1A1POLBRAB9AKDM4EMEN1
Hydrochloric Acid SCHEMBL1813007 0.75 MAPT (0.38) ALDH1A1POLBRAB9AKDM4EMEN1
SCHEMBL26483287 0.68 MAPT (0.49) ALDH1A1RAB9AKDM4EMEN1MAPT
SCHEMBL10697286 0.68 ALDH1A1 (0.42) ALDH1A1NPC1POLBPKMHPGD
SCHEMBL27630865 0.68 ALDH1A1 (0.46) ALDH1A1NPC1POLBPKMHPGD
SCHEMBL4557934 0.66 ALDH1A1 (0.46) ALDH1A1POLBHPGDKDM4EMEN1
SCHEMBL13386271 0.66 RAB9A (0.38) ALDH1A1NPC1POLBPKMHPGD
SCHEMBL50667 0.66 MAPT (0.56) ALDH1A1NPC1POLBHPGDRAB9A
SCHEMBL1509676 0.66 KDM4E (0.45) ALDH1A1NPC1POLBPKMHPGD
SCHEMBL8772379 0.66 C5AR1 (0.37) ALDH1A1NPC1POLBPKMHPGD

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-2007086995-A2 METHYLENE BLUE THERAPY OF AVIAN INFLUENZA BIOENVISION, INC. (US) 2007-08-02 WO disclosed