SCHEMBL20348916

SCHEMBL20348916

COC(O)c1ccc(-c2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 0.50
▸ KMT2A Q03164 13/20 0.50
▸ ATM Q13315 2/20 0.50
▸ POLB P06746 7/20 0.49
▸ PSMD14 O00487 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSP90AA1 P07900 2/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ SENP8 Q96LD8 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ SENP6 Q9GZR1 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTPN1 P18031 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL20348950 0.85 PTPN1 (0.54) MEN1KMT2AATMPOLBPSMD14
SCHEMBL20339693 0.83 PTPN1 (0.67) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL20339691 0.83 PTPN1 (0.67) MEN1KMT2AATMPOLBALDH1A1
SCHEMBL20339741 0.77 NLRP3 (0.61) PTPN1NLRP3
SCHEMBL20339740 0.77 NLRP3 (0.61) PTPN1NLRP3
SCHEMBL20339702 0.70 PTPN1 (0.66) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL20339701 0.70 PTPN1 (0.66) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL2080494 0.68 MEN1 (0.82) MEN1KMT2AATMPOLBPSMD14
SCHEMBL2080496 0.68 MEN1 (0.82) MEN1KMT2AATMPOLBPSMD14
SCHEMBL19999130 0.68 MEN1 (0.74) MEN1KMT2AATMPOLBPSMD14

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-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 — — WO disclosed
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