SCHEMBL31419425

SCHEMBL31419425

O=C(Br)c1ccncc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.44
KDM4C Q9H3R0 8/20 0.44
KDM4E B2RXH2 5/20 0.44
KDM6B O15054 5/20 0.44
KDM4D Q6B0I6 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4A O75164 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SIRT3 Q9NTG7 1/20 0.38
MAPKAPK2 P49137 1/20 0.35
HPGD P15428 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
EP300 Q09472 1/20 0.34

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
SCHEMBL28255112 0.82 KDM4C (0.47) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL29822292 0.80 KDM4C (0.61) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL2562774 0.80 KDM4C (0.61) P2RX1KDM4CKDM4EKDM6BKDM4D
Hydrochloric Acid SCHEMBL28052605 0.78 KDM4C (0.59) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL22810576 0.78 P2RX1 (0.44) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL2645253 0.78 TDP1 (0.57) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL1798009 0.78 P2RX1 (0.47) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL17438491 0.77 TDP1 (0.55) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL17438485 0.77 TDP1 (0.55) P2RX1KDM4CKDM4EKDM6BKDM4D
SCHEMBL4983594 0.75 KDM4E (0.53) P2RX1KDM4CKDM4EKDM6BKDM4D

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-119613331-A Quaternary amine salt compound of 3-hydroxyisonicotinic acid dextromethorphan ester and pharmaceutical application thereof 南京医科大学 2025-03-14 CN disclosed