SCHEMBL14397331

SCHEMBL14397331

COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N)n[nH]3)n[nH]2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
MAPT P10636 6/20 0.48
GAA P10253 1/20 0.47
ALPL P05186 11/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
HTT P42858 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL13387751 0.91 GAA (0.43) MAPK1MAPTGAAALPLRAB9A
SCHEMBL286531 0.86 MAPK1 (0.65) MAPK1MAPTGAAALPLRAB9A
Hydrochloric Acid SCHEMBL286530 0.85 MAPK1 (0.62) MAPK1MAPTGAAALPLRAB9A
SCHEMBL14397160 0.84 HCAR3 (0.47) MAPTALPLRAB9ANPC1CCNA2
SCHEMBL23854654 0.79 MAPK1 (0.59) MAPK1MAPTGAAALPLRAB9A
SCHEMBL1662796 0.73 CHEK1 (0.56) MAPK1MAPTGAAALPLLMNA
SCHEMBL16534089 0.72 MAPK1 (0.51) MAPK1MAPTGAAALPLRAB9A
SCHEMBL25426462 0.70 NPC1 (0.59) MAPTRAB9APOLBSMN1; SMN2NPC1
SCHEMBL23513527 0.70 NPC1 (0.55) RAB9ASMN1; SMN2NPC1LMNACCNA2
SCHEMBL4311802 0.69 ALPL (0.55) MAPTGAAALPLRAB9ASMN1; 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
WO-2007112922-A1 TRIMERIC, WATER-SOLUBLE AMINOPYRAZOLE COMPOUNDS HAVING AN EFFECT AGAINST NEURODEGENERATIVE DISEASES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2007-10-11 WO disclosed