SCHEMBL13680444

SCHEMBL13680444

CNC(=O)Nc1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.62
CSF1R P07333 1/20 0.60
FLT1 P17948 1/20 0.60
FLT3 P36888 1/20 0.60
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MGLL Q99685 1/20 0.49
IMPDH2 P12268 2/20 0.48
PIP4K2A P48426 1/20 0.48
PIP4K2B P78356 1/20 0.48

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
SCHEMBL13680542 0.89 CNR1 (0.68) CNR1CSF1RFLT1FLT3SAE1
SCHEMBL8265472 0.83 HSD17B10 (0.66) CNR1CSF1RFLT1FLT3KMT2A
SCHEMBL8906555 0.83 ALDH1A1 (0.60) CNR1KMT2AALDH1A1SMN1; SMN2MGLL
SCHEMBL13680497 0.82 KIF11 (0.69) CNR1CSF1RFLT1FLT3KMT2A
SCHEMBL2632867 0.81 SAE1 (0.68) SAE1UBA2KMT2AALDH1A1PKM
SCHEMBL12444550 0.81 KIF11 (0.61) KMT2AALDH1A1SMN1; SMN2
SCHEMBL13680466 0.81 FAAH (0.56) CNR1CSF1RFLT1FLT3KMT2A
SCHEMBL13680447 0.79 PNPLA2 (0.62) CNR1CSF1RFLT1FLT3KMT2A
SCHEMBL5425007 0.77 NPC1 (0.55) CNR1CSF1RFLT1FLT3KMT2A
SCHEMBL20557956 0.77 CNR1 (1.00) CNR1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed