SCHEMBL7709062

SCHEMBL7709062

Cc1ccccc1-c1cc(N)nc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.57
CTSD P07339 1/20 0.57
LCK P06239 1/20 0.50
KDR P35968 1/20 0.50
JAK3 P52333 1/20 0.50
MAPK14 Q16539 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 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

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
SCHEMBL19897390 0.79 TSHR (0.50) BACE1CTSDLCKKDRJAK3
SCHEMBL28233418 0.79 HSP90AA1 (0.54) BACE1CTSDLCKKDRJAK3
SCHEMBL3363667 0.79 CTSD (0.53) BACE1CTSDLCKKDRJAK3
SCHEMBL19539213 0.78 TRPA1 (0.47) BACE1CTSDLCKKDRJAK3
SCHEMBL28247998 0.77 CTSD (0.47) BACE1CTSDLCKKDRJAK3
SCHEMBL13483636 0.77 TRPA1 (0.46) BACE1CTSDLCKKDRJAK3
SCHEMBL7702897 0.75 BACE1 (0.57) BACE1JAK3NPC1RAB9ASMN1; SMN2
SCHEMBL7708786 0.75 BACE1 (0.57) BACE1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7711745 0.75 HSD17B10 (0.54) SMN1; SMN2KDM4EHSD17B10ALOX5APFEN1
SCHEMBL30488032 0.75 NUDT1 (0.50) BACE1CTSDLCKKDRJAK3

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed