SCHEMBL3246175

SCHEMBL3246175

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NCCCN(C)C)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.48
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX15 P16050 1/20 0.39
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SFRP1 Q8N474 1/20 0.35
PARP1 P09874 1/20 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
SCHEMBL3249740 0.89 BRAF (0.40) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3251387 0.87 POLB (0.40) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3249820 0.87 BRAF (0.49) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3248591 0.85 TAS2R14 (0.43) KDM4EPOLBTDP1L3MBTL1ALOX15
SCHEMBL3247431 0.83 MAPT (0.48) KDM4EPOLBALDH1A1USP2HPGD
SCHEMBL3241840 0.82 KDM4E (0.41) KDM4EPOLBTDP1L3MBTL1ALDH1A1
SCHEMBL3250608 0.82 BRAF (0.53) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3250557 0.81 MAPT (0.41) BRAFKDM4EPOLBL3MBTL1CA12
SCHEMBL3250591 0.81 PARG (0.48) BRAFKDM4EPOLBTDP1ALDH1A1
SCHEMBL3249059 0.81 MAPT (0.47) BRAFKDM4EPOLBTDP1ALOX15

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed