SCHEMBL13680643

SCHEMBL13680643

Cc1cccc(-c2ccc(NC(N)=S)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
CSF1R P07333 1/20 0.55
FLT1 P17948 1/20 0.55
FLT3 P36888 1/20 0.55
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KIF11 P52732 3/20 0.50
GAA P10253 2/20 0.50
CNR1 P21554 1/20 0.49
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
TAS2R38 P59533 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL13680497 0.83 KIF11 (0.69) CSF1RFLT1FLT3MAPTKIF11
SCHEMBL1886408 0.80 CYP1A2 (1.00) CYP1A2ALDH1A1MAPTGAATP53
SCHEMBL3424950 0.80 ALDH1A1 (0.75) ALDH1A1MAPTKIF11GAATP53
SCHEMBL8265472 0.78 HSD17B10 (0.66) CSF1RFLT1FLT3ALDH1A1MAPT
SCHEMBL13680641 0.77 HSD17B1 (0.50) CYP1A2CSF1RFLT1FLT3ALDH1A1
SCHEMBL21255476 0.77 FNTA (0.54) CYP1A2CSF1RFLT1FLT3ALDH1A1
SCHEMBL19473599 0.76 NPSR1 (0.57) CYP1A2CSF1RFLT1FLT3MAPT
SCHEMBL1278440 0.76 ALDH1A1 (0.61) CYP1A2ALDH1A1MAPTKIF11GAA
SCHEMBL13680466 0.75 FAAH (0.56) CSF1RFLT1FLT3ALDH1A1CNR1
SCHEMBL13680444 0.75 CNR1 (0.62) CSF1RFLT1FLT3ALDH1A1CNR1

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