SCHEMBL21960919

SCHEMBL21960919

O=Nc1cc(C(=O)N2CCCC2)n(C2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 11/20 0.38
▸ L3MBTL1 Q9Y468 10/20 0.38
▸ MAP3K14 Q99558 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MBTD1 Q05BQ5 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53BP1 Q12888 1/20 0.34
▸ L3MBTL4 Q8NA19 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL21964588 0.82 HCAR3 (0.40) L3MBTL1ALDH1A1
SCHEMBL21960901 0.80 KDM4E (0.41) L3MBTL3L3MBTL1MAP3K14ALDH1A1NPC1
SCHEMBL21961452 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21960397 0.77 JMJD6 (0.37) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL21960936 0.76 PKM (0.40) L3MBTL3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL21013241 0.63 MEN1 (0.37) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL21964601 0.63 ALPL (0.49) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL25400204 0.61 KCNJ3 (0.45) ALDH1A1KDM4E
SCHEMBL3060712 0.60 KCNJ6 (0.42) ALDH1A1KDM4E
SCHEMBL31106627 0.60 CDK4 (0.53) —

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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 — — EP disclosed
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