SCHEMBL22940447

SCHEMBL22940447

O=C(CCCCC1CCCCC1)N1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ NAAA Q02083 1/20 0.56
▸ HSD11B1 P28845 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ ITGB3 P05106 2/20 0.51
▸ ITGA2B P08514 2/20 0.51
▸ GNAI3 P08754 1/20 0.48
▸ GNAO1 P09471 1/20 0.48
▸ GNAI1 P63096 1/20 0.48

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
SCHEMBL7371370 1.00 ATM (0.59) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL25447312 0.91 HSD11B1 (0.57) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL2828741 0.88 MEN1 (0.74) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL12128801 0.88 MEN1 (0.74) ATMMEN1KMT2AL3MBTL1TDP1
SCHEMBL5517503 0.87 HSD11B1 (0.70) ATMMEN1KMT2AHSD11B1TP53
SCHEMBL3952911 0.87 HSD11B1 (0.70) ATMMEN1KMT2AHSD11B1TP53
SCHEMBL4382097 0.85 KMT2A (0.59) ATMMEN1KMT2ANAAAHSD11B1
SCHEMBL4382883 0.85 KMT2A (0.59) ATMMEN1KMT2ANAAAHSD11B1
SCHEMBL7217209 0.85 TP53 (0.71) ATMMEN1KMT2AHSD11B1TP53
SCHEMBL14218032 0.84 HSD11B1 (0.81) ATMMEN1KMT2AL3MBTL1TDP1

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
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 — — WO disclosed
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