SCHEMBL14638749

SCHEMBL14638749

CC(C)(C)N1CCCC([Se]c2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.35
HTR2B P41595 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2455033 0.80 GRM5 (0.39) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL137980 0.76 GPR119 (0.43) RIPK1KMT2A
SCHEMBL7254321 0.72 L3MBTL1 (0.47) KMT2AALDH1A1L3MBTL1
SCHEMBL29777103 0.70 SRC (0.37) KMT2AALDH1A1
SCHEMBL29080040 0.70 GPR119 (0.45) KMT2A
SCHEMBL10210462 0.68 PIK3CD (0.37) LMNAKMT2A
SCHEMBL23208609 0.68 ALDH1A1 (0.36) KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL813145 0.67 MCL1 (0.40) LMNAALDH1A1ALOX15TSHRL3MBTL1
SCHEMBL2729302 0.67 MAPT (0.42) LMNAKMT2AALDH1A1ALOX15TSHR
SCHEMBL813136 0.66 MCL1 (0.46) LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734205-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS Tolero Pharmaceuticals, Inc. (US) 2014-05-28 EP disclosed
WO-2013013188-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2013-01-24 WO disclosed