SCHEMBL15919877

SCHEMBL15919877

O=C(COS)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ HPGD P15428 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL13450960 0.77 KMT2A (0.52) ATMHPGDRAB9APOLBMAPT
SCHEMBL4503439 0.77 ATM (0.48) ATMHPGDRAB9APOLBMAPT
SCHEMBL14538084 0.77 ATM (0.48) ATMHPGDRAB9APOLBMAPT
SCHEMBL1220310 0.77 KMT2A (0.52) ATMHPGDRAB9APOLBMAPT
SCHEMBL429744 0.75 ATM (0.56) ATMHPGDRAB9APOLBMAPT
SCHEMBL9040661 0.75 ATM (0.56) ATMHPGDRAB9APOLBMAPT
SCHEMBL20729443 0.75 CA12 (0.43) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL944668 0.74 ALDH1A1 (0.53) ATMHPGDRAB9AMAPTMEN1
SCHEMBL13039605 0.74 ATM (0.50) ATMHPGDRAB9APOLBMAPT
SCHEMBL31007038 0.74 ALDH1A1 (0.59) ATMHPGDRAB9APOLBMAPT

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-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 — — WO disclosed
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