SCHEMBL29232908

SCHEMBL29232908

COC(=O)c1nnc(C(=O)O)c2c1[nH]c1ccc(N)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ NGFR P08138 1/20 0.42
▸ EGFR P00533 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ GABRA1 P14867 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRA6 Q16445 2/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL29232909 0.95 MAPT (0.52) MAPTALDH1A1NGFREGFRIGF1R
SCHEMBL29232883 0.88 NGFR (0.49) MAPTALDH1A1NGFREGFRIGF1R
SCHEMBL29232879 0.82 MAPT (0.51) MAPTALDH1A1EGFRIGF1RGABRA1
SCHEMBL29232880 0.78 MAPT (0.51) MAPTALDH1A1EGFRIGF1RGABRA1
SCHEMBL29232885 0.73 NGFR (0.47) NGFREGFRIGF1RDYRK1AGABRA1
SCHEMBL29232911 0.72 TP53 (0.39) ALDH1A1GABRA1GABRA5GABRA3GABRA2
SCHEMBL173308 0.72 KDM4E (0.65) ALDH1A1DYRK1AKDM4EGAAPRKAG1
SCHEMBL29232889 0.71 MAPT (0.54) MAPTALDH1A1GABRA1GABRA5GABRA3
SCHEMBL13684477 0.71 ALDH1A1 (0.57) MAPTALDH1A1NGFRKDM4EHPGD
SCHEMBL29232915 0.70 TP53 (0.39) MAPTALDH1A1GABRA1GABRA5GABRA3

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-118206560-A Lipoic acid derivative containing pyridazino indole structure, and preparation method and application thereof 浙江中医药大学 2024-06-18 — — CN disclosed
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