SCHEMBL30183808

SCHEMBL30183808

COC(=O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2CC1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ TSHR P16473 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
SCHEMBL30036494 1.00 MAPT (0.36) MAPTKMT2AKDM4EPOLBRECQL
SCHEMBL30183974 0.91 KDM4E (0.39) MAPTKMT2AKDM4EPOLBRECQL
SCHEMBL23577643 0.89 TSHR (0.36) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL23590651 0.86 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1MEN1PLK1
SCHEMBL30183967 0.86 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1MEN1PLK1
SCHEMBL30035755 0.86 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1MEN1PLK1
SCHEMBL30183714 0.83 ALDH1A1 (0.43) MAPTKMT2AKDM4EPOLBRECQL
SCHEMBL23590845 0.83 ALDH1A1 (0.43) MAPTKMT2AKDM4EPOLBRECQL
SCHEMBL29267734 0.81 TSHR (0.44) MAPTKMT2AKDM4EPOLBRECQL
SCHEMBL25387167 0.80 CTRC (0.38) MAPTKMT2AKDM4EPOLBRECQL

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-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
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