SCHEMBL20879153

SCHEMBL20879153

COC(=O)CN(CCOS(C)=O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 3/20 0.36
▸ PRSS2 P07478 3/20 0.36
▸ PRSS3 P35030 3/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL14691212 0.81 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8378174 0.80 MAPT (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL20879183 0.80 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL20879157 0.79 SMN1; SMN2 (0.36) MAPTALDH1A1KDM4ENPSR1HPGD
SCHEMBL13603840 0.78 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL20879248 0.77 MEP1B (0.34) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL20879161 0.77 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8376101 0.74 KMT2A (0.40) MAPTALDH1A1MEN1KMT2AF2
SCHEMBL29173926 0.74 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL11159138 0.71 L3MBTL1 (0.47) MAPTALDH1A1MEN1KMT2ANPC1

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-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
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