SCHEMBL8318201

SCHEMBL8318201

COc1ccc(C(=O)Cl)c2c3c(sc12)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 4/20 0.41
FLT3 P36888 3/20 0.41
MEN1 O00255 3/20 0.41
RECQL P46063 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDKN1A P38936 2/20 0.38
GAA P10253 1/20 0.38
GLO1 Q04760 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8323865 0.78 KCNMA1 (0.48) MAPTPOLBTDP1KMT2AMEN1
SCHEMBL8321734 0.78 PDE4D (0.55)
SCHEMBL8319163 0.72 ALDH1A1 (0.39) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8320953 0.71 ALDH1A1 (0.39) MAPTKMT2AMEN1RECQLSMN1; SMN2
SCHEMBL3424668 0.70 MAPT (0.50) MAPTTDP1ALDH1A1HTTGAA
SCHEMBL3427457 0.67 ALDH1A1 (0.50) MAPTTDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7681848 0.67 MEN1 (0.41) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL72916 0.66 KDM4E (0.50) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL9576976 0.65 HMGCR (0.47) MAPTPOLBTDP1KMT2AMEN1
SCHEMBL8295144 0.65 ADRA1A (0.45) POLBTDP1KMT2AFLT3MEN1

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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed