SCHEMBL10656359

SCHEMBL10656359

O=C1NC(=O)/C(=C\c2cc(OCCCCS(=O)(=O)c3ccccc3)ccc2[N+](=O)[O-])N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.45
▸ PDE3B Q13370 3/20 0.44
▸ PDE3A Q14432 3/20 0.44
▸ P2RY12 Q9H244 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ MAPT P10636 7/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10656364 1.00 PTPN1 (0.45) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10657585 0.97 PTPN1 (0.46) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10657595 0.97 PTPN1 (0.46) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10661186 0.89 HPGD (0.41) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10661180 0.89 HPGD (0.41) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10657848 0.82 PDE3B (0.47) PDE3BPDE3AP2RY12ALDH1A1MAPT
SCHEMBL10657191 0.82 HPGD (0.44) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10657188 0.82 HPGD (0.44) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10656100 0.81 HPGD (0.45) PTPN1PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL10656094 0.81 HPGD (0.45) PTPN1PDE3BPDE3AP2RY12ALDH1A1

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
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 — — US disclosed
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