SCHEMBL28494615

SCHEMBL28494615

Nc1cc(C(=O)O)c(-c2cccnc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
MKNK1 Q9BUB5 8/20 0.48
MKNK2 Q9HBH9 8/20 0.48
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL15330869 0.77 DDT (0.49) MKNK2GABRPGABRDGABRA1GABRB1
SCHEMBL16826222 0.76 CYP2A6 (0.50) MKNK1MKNK2GABRPGABRDGABRA1
SCHEMBL16835900 0.76 TDO2 (0.47) MKNK1MKNK2MEN1ALDH1A1DYRK1A
SCHEMBL29952599 0.76 ERN1 (0.52) MKNK1MKNK2CHEK2MEN1ALDH1A1
SCHEMBL28439295 0.75 KMO (0.64) KMOMKNK1MKNK2KDM4EDHODH
SCHEMBL2562012 0.75 GABRP (0.51) MKNK1MKNK2GABRPGABRDGABRA1
SCHEMBL2553423 0.75 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7019233 0.74 GABRP (0.54) MKNK1GABRPGABRDGABRA1GABRB1
SCHEMBL16277788 0.74 LMNA (0.56) KMOMKNK1MKNK2KDM4EDHODH
SCHEMBL13522906 0.74 MKNK1 (0.60) KMOMKNK1MKNK2KDM4EDHODH

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-112105354-A Fibroblast activation protein inhibitor 普拉西斯生物技术有限责任公司 2020-12-18 CN disclosed