SCHEMBL28833624

SCHEMBL28833624

O=C(O)N1CCC[C@@H](NCCNc2cccc(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ CCR2 P41597 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL28833625 1.00 BTK (0.49) BTKMEN1KMT2AALDH1A1RECQL
SCHEMBL4755107 0.84 KMT2A (0.52) BTKMEN1KMT2AALDH1A1RECQL
SCHEMBL16764325 0.84 ANO1 (0.57) BTKLMNAMAPTSMN1; SMN2
SCHEMBL16764326 0.84 ANO1 (0.57) BTKLMNAMAPTSMN1; SMN2
SCHEMBL23080971 0.81 OPRL1 (0.42) BTKMEN1KMT2AALDH1A1LMNA
SCHEMBL4342706 0.74 TAAR1 (0.66) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL15054786 0.74 TAAR1 (0.66) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3647453 0.73 CRHR1 (0.54) MEN1KMT2AALDH1A1RECQLNPSR1
SCHEMBL3487240 0.73 POLB (0.56) MEN1KMT2ASMN1; SMN2NPC1EPHX1
SCHEMBL28324102 0.72 CHEK1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT

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
CN-105960404-A Inhibitors of bruton's tyrosine kinase 药品循环有限责任公司 2016-09-21 — — CN disclosed
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