SCHEMBL11033076

SCHEMBL11033076

c1ccc(C2=Nc3ccccc3CN(c3ccccc3)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ACHE P22303 6/20 0.36
BCHE P06276 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CCR3 P51677 1/20 0.35
CTSD P07339 1/20 0.35

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
Hydrochloric Acid SCHEMBL10917400 0.98 SIGMAR1 (0.46) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10917391 0.79 SIGMAR1 (0.49) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10920358 0.79 SIGMAR1 (0.49) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL11034098 0.79 SIGMAR1 (0.49) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10916290 0.78 SIGMAR1 (0.47) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10915863 0.76 SIGMAR1 (0.45) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10916617 0.76 SIGMAR1 (0.45) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10919365 0.75 SIGMAR1 (0.44) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10920364 0.75 SIGMAR1 (0.44) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10918089 0.74 SIGMAR1 (0.43) SIGMAR1NPC1HPGDRAB9ASMN1; SMN2

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-4482547-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1984-11-13 US claimed