SCHEMBL30100781

SCHEMBL30100781

CCc1cnccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 19/20 0.56
KDM6B O15054 7/20 0.56
KDM4D Q6B0I6 4/20 0.55
KDM4E B2RXH2 2/20 0.55
KDM4A O75164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL115648 1.00 KDM4C (0.56) KDM4CKDM6BKDM4DKDM4EKDM4A
Hydrochloric Acid SCHEMBL1026385 0.98 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL30100778 0.87 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL9698166 0.87 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
Hydrochloric Acid SCHEMBL28467486 0.85 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL11236770 0.84 KDM4C (0.44) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL123203 0.84 KDM4C (0.51) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL31132789 0.84 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL31132830 0.84 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL30465694 0.84 KDM4C (0.51) KDM4CKDM6BKDM4DKDM4EKDM4A

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
CN-112638881-B Tetrahydroquinoline derivatives for the treatment of metastatic and chemotherapy-resistant cancers 普林斯顿大学托管委员会 2025-01-07 CN disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed