SCHEMBL30059651

SCHEMBL30059651

CN(C)CCOc1cc2c(cc1-c1ccccc1[N+](=O)[O-])[nH]c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ GABRP O00591 3/20 0.40
▸ GABRD O14764 3/20 0.40
▸ GABRA1 P14867 3/20 0.40
▸ GABRB1 P18505 3/20 0.40
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA3 P34903 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ GABRA4 P48169 3/20 0.40
▸ GABRE P78334 3/20 0.40
▸ GABRA6 Q16445 3/20 0.40
▸ GABRG1 Q8N1C3 3/20 0.40
▸ GABRG3 Q99928 3/20 0.40
▸ GABRQ Q9UN88 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40

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
SCHEMBL25241721 1.00 KDM4E (0.43) KDM4EGAAGABRPGABRDGABRA1
SCHEMBL25788805 0.82 KDM4E (0.45) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL25788808 0.81 HTR7 (0.42) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL25241406 0.79 KMT2A (0.40) KDM4EGAAKMT2ACHRNB2CHRNA4
SCHEMBL23875565 0.78 KDM4E (0.47) KDM4EGAAKMT2ACHRNB2CHRNA4
SCHEMBL25783942 0.78 CHRNB2 (0.46) KDM4ECHRNB2CHRNA4IMPDH2ALDH1A1
SCHEMBL23875612 0.77 KDM4E (0.48) KDM4EGAAKMT2ACHRNB2CHRNA4
SCHEMBL30227291 0.77 KDM4E (0.48) KDM4EGAAKMT2ACHRNB2CHRNA4
SCHEMBL30227222 0.73 CHRNB2 (0.51) KDM4EGAAKMT2ACHRNB2CHRNA4
SCHEMBL23875541 0.73 CHRNB2 (0.51) KDM4EGAAKMT2ACHRNB2CHRNA4

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-115335046-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-11-11 — — CN disclosed
Send feedback