SCHEMBL17409476

SCHEMBL17409476

C#Cc1ccc(NC(=O)Nc2cccc(C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.64
UBA2 Q9UBT2 1/20 0.64
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
PKM P14618 1/20 0.61
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
CNR1 P21554 1/20 0.56
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
CSF1R P07333 1/20 0.54
FLT1 P17948 1/20 0.54
FLT3 P36888 1/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 2/20 0.54
IMPDH2 P12268 4/20 0.53
GBA1 P04062 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL5852140 0.84 SAE1 (0.76) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL29703055 0.83 SMN1; SMN2 (0.77) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL4416620 0.83 SMN1; SMN2 (0.77) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL259602 0.82 SMN1; SMN2 (0.75) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL17424508 0.82 CYP2C9 (0.67) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31054278 0.82 SMN1; SMN2 (0.75) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL13169441 0.82 IDH1 (0.57) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL4748577 0.82 CYP2C9 (0.56) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL22588905 0.81 SAE1 (0.71) SAE1UBA2KMT2ASMN1; SMN2PKM
SCHEMBL22103910 0.80 CNR1 (0.83) SAE1UBA2KMT2ASMN1; SMN2PKM

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-9233968-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-01-12 US disclosed