SCHEMBL844728

SCHEMBL844728

CCCCN(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C.Cn1c(CCl)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
USP2 O75604 1/20 0.49
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.45
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
HDAC6 Q9UBN7 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL844711 0.93 SMN1; SMN2 (0.55) SMN1; SMN2USP2ATP4AATP4BTSHR
SCHEMBL11995138 0.83 SMN1; SMN2 (0.61) SMN1; SMN2USP2TSHRMAPTPDE10A
SCHEMBL103809 0.82 RAB9A (0.60) SMN1; SMN2USP2MAPTPDE10ANPC1
SCHEMBL16465691 0.81 SMN1; SMN2 (0.53) SMN1; SMN2USP2TSHRMAPTPDE10A
SCHEMBL6865472 0.81 SMN1; SMN2 (0.56) SMN1; SMN2USP2TSHRMAPTPDE10A
SCHEMBL3746825 0.80 SMN1; SMN2 (0.65) SMN1; SMN2USP2TSHRMAPTPDE10A
SCHEMBL31248989 0.80 SMN1; SMN2 (0.65) SMN1; SMN2USP2TSHRMAPTPDE10A
Hydrochloric Acid SCHEMBL6000086 0.80 RAB9A (0.58) SMN1; SMN2USP2MAPTPDE10ANPC1
SCHEMBL29087537 0.78 MAPT (0.58) SMN1; SMN2USP2TSHRMAPTPDE10A
SCHEMBL6868621 0.77 SMN1; SMN2 (0.58) SMN1; SMN2USP2TSHRMAPTPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2436750-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-04-04 EP disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed