SCHEMBL321856

SCHEMBL321856

CCc1c(C)ccc2[nH]c(=O)c(C(=O)OC)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
USP2 O75604 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP3K5 Q99683 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL321963 0.91 KDM5A (0.54) KDM5AKDM5BMEN1KMT2AALDH1A1
SCHEMBL321280 0.82 USP2 (0.44) KDM5AKDM5BUSP2MEN1KMT2A
SCHEMBL322275 0.82 USP2 (0.44) KDM5AKDM5BUSP2MEN1KMT2A
SCHEMBL2482875 0.80 KDM4E (0.52) USP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7754982 0.79 KDM5A (0.52) KDM5AKDM5BMEN1KMT2AALDH1A1
SCHEMBL7754979 0.77 KDM5A (0.53) KDM5AKDM5BMEN1KMT2AALDH1A1
SCHEMBL1033018 0.77 KDM5A (0.53) KDM5AKDM5BMEN1KMT2AALDH1A1
SCHEMBL321543 0.76 MEN1 (0.45) KDM5AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7861387 0.74 KDM5A (0.50) KDM5AKDM5BMEN1KMT2AALDH1A1
SCHEMBL321442 0.74 MEN1 (0.45) KDM5AKDM5BMEN1KMT2AMAP3K5

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
EP-2590949-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES Active Biotech AB (SE) 2013-05-15 EP disclosed
WO-2012004338-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2012-01-12 WO disclosed