SCHEMBL3052569

SCHEMBL3052569

NC(=O)CC[C@H](N)C(=O)On1cnc2c(=O)nc[nH]c21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ QARS1 P47897 1/20 0.30

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
SCHEMBL5689117 0.62 ALOX15 (0.43) ALOX15BLMPMP22KMT2AQARS1
SCHEMBL2639252 0.62 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1TDP1HSD17B10
SCHEMBL7037922 0.61 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1TDP1HSD17B10
SCHEMBL2514287 0.61 ALOX15 (0.54) ALOX15BLMPMP22KMT2A
SCHEMBL375714 0.61 KDM4E (0.33) KDM4EALDH1A1TDP1
Glutamine SCHEMBL3052567 0.60 ALOX15 (0.53) ALOX15BLMPMP22KMT2AALDH1A1
Glutamine SCHEMBL3052571 0.60 ALOX15 (0.53) ALOX15BLMPMP22KMT2AALDH1A1
SCHEMBL9089896 0.60 ALOX15 (0.56) ALOX15BLMPMP22KMT2AQARS1
SCHEMBL711607 0.59 ALOX15 (0.60) ALOX15BLMPMP22KMT2AQARS1
SCHEMBL28313344 0.59 ALOX15 (0.60) ALOX15BLMPMP22KMT2AQARS1

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
US-20100221781-A1 CHO-K1 CELL LINE HOFFMANN-LA ROCHE, INC. 2010-09-02 — — US claimed
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