SCHEMBL23797211

SCHEMBL23797211

CCc1cc(C)c(C)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 8/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ AR P10275 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM5A P29375 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
SCHEMBL2153696 0.85 PDE3B (0.41) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL1980240 0.84 ALDH1A1 (0.41) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL16054244 0.84 SNCA (0.42) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12959692 0.82 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL15417774 0.82 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL25991269 0.81 PDE3B (0.39) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL12651103 0.81 KDM4E (0.41) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL30394200 0.77 TSHR (0.50) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL8954330 0.77 TSHR (0.50) L3MBTL1MEN1KMT2ATSHRALDH1A1
SCHEMBL22188019 0.76 TRPV4 (0.42) L3MBTL1MEN1KMT2AMAPTKDM4E

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-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 — — EP disclosed
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