SCHEMBL21261013

SCHEMBL21261013

CC1(C)Cc2c(sc(NC(=O)c3ccc(NCCO)nc3)c2C(=O)O)C(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.53
▸ HCAR3 P49019 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL21261123 0.87 PTPN1 (0.57) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21261106 0.84 RAB7A (0.54) ALDH1A1KMT2AMAPTMEN1NOD2
SCHEMBL21261017 0.83 SLC34A2 (0.46) ALDH1A1KMT2AMAPTMEN1NOD2
SCHEMBL21247337 0.79 PTPN1 (0.68) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21261108 0.79 PTPN1 (0.56) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21247234 0.78 PTPN1 (0.64) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21261064 0.78 PTPN1 (0.51) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21247153 0.78 PTPN1 (0.55) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21247155 0.77 PTPN1 (0.56) PTPN1ALDH1A1KMT2AMAPTMEN1
SCHEMBL21261018 0.76 PTPN1 (0.60) PTPN1ALDH1A1KMT2AMAPTMEN1

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-2019154950-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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