SCHEMBL6970684

SCHEMBL6970684

[CH2]N(C(=O)COc1ccccc1)c1cnn(CC(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.36
PSMB5 P28074 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HCAR2 Q8TDS4 3/20 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
SCHEMBL6970690 0.88 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL6967247 0.74 POLB (0.38) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL6969494 0.74 GAA (0.36) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL6154283 0.65 KMT2A (0.53) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL8247643 0.64 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6155240 0.64 MAPK1 (0.45) SMN1; SMN2RAB9ALMNAKMT2AALDH1A1
SCHEMBL3632818 0.63 SMN1; SMN2 (0.86) SMN1; SMN2NPC1RAB9AKMT2AMAPK1
SCHEMBL6155187 0.63 TSHR (0.40) SMN1; SMN2RAB9ALMNAALDH1A1TSHR
SCHEMBL18343349 0.62 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL10013763 0.60 NPC1 (0.81) SMN1; SMN2NPC1RAB9ALMNAKMT2A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed