SCHEMBL2859256

SCHEMBL2859256

Cc1nn(C)c(C)c1C(=O)NCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.73
RAB9A P51151 8/20 0.73
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
HIF1A Q16665 1/20 0.52
TP53 P04637 1/20 0.52
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL2859054 0.86 POLB (0.71) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL15401642 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2857889 0.78 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL28218732 0.77 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL7699111 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2736553 0.75 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL13753976 0.75 KDM4E (0.69) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL8508465 0.74 MAPT (0.51) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL28219067 0.73 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL8507468 0.72 RAB9A (0.58) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed