SCHEMBL29232900

SCHEMBL29232900

CCn1c2ccc(N)cc2c2c(C(=O)O)nncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HBB P68871 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PLA2G2A P14555 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ APOBEC3A P31941 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
SCHEMBL29232884 0.84 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL29232897 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL29233023 0.81 MAPT (0.53) MAPTMAPK1MEN1KMT2AHTT
SCHEMBL29232886 0.77 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL29232887 0.74 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL350783 0.72 KDM4E (0.82) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL29411076 0.72 KDM4E (0.82) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL29232882 0.70 KDM4E (0.35) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL3782966 0.70 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTHSD17B10
Acetic Acid SCHEMBL3457064 0.70 KDM4E (0.82) KDM4EALDH1A1HPGDMAPTHSD17B10

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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