SCHEMBL30604167

SCHEMBL30604167

CCCCCCCc1cc(C(=O)OC)c2ccccc2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.61
KDM4E B2RXH2 7/20 0.60
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
DHODH Q02127 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 2/20 0.51
PLIN1 O60240 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
PLIN5 Q00G26 1/20 0.51
MCL1 Q07820 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL30604170 1.00 PLA2G2A (0.61) PLA2G2AKDM4EMEN1KMT2AALDH1A1
SCHEMBL30604207 0.87 KDM4E (0.79) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL30604082 0.87 KDM4E (0.79) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL30604142 0.87 KDM4E (0.56) PLA2G2AKDM4EALDH1A1HPGDDHODH
SCHEMBL30604143 0.87 KDM4E (0.56) PLA2G2AKDM4EALDH1A1HPGDDHODH
SCHEMBL1228082 0.86 KDM4E (0.58) PLA2G2AKDM4EMEN1KMT2AALDH1A1
SCHEMBL17395204 0.83 KDM4E (0.64) PLA2G2AKDM4EALDH1A1HPGDDHODH
SCHEMBL29176351 0.81 HTR3E (0.64) PLA2G2AKDM4EALDH1A1HPGDLMNA
SCHEMBL17584805 0.81 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29280456 0.80 KDM4E (0.72) PLA2G2AKDM4EMEN1KMT2AALDH1A1

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
CN-116745291-A N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide 阿斯利康(瑞典)有限公司 2023-09-12 CN disclosed