SCHEMBL10666405

SCHEMBL10666405

O=C(O)/C=C1\S/C(=N/c2cccc3ccccc23)N(c2cccc3ccccc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ BCHE P06276 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 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
SCHEMBL10666412 1.00 POLB (0.41) POLBKDM4ELMNAPTPN1ACP1
SCHEMBL10660826 0.76 ALDH1A1 (0.54) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL10665518 0.76 CDC25A (0.45) KDM4ELMNAPTPN1ACP1ALDH1A1
SCHEMBL9547641 0.65 POLB (0.51) POLBKDM4ELMNAKMT2AALDH1A1
SCHEMBL9547644 0.65 POLB (0.51) POLBKDM4ELMNAKMT2AALDH1A1
SCHEMBL10665584 0.64 MEN1 (0.48) POLBKDM4ELMNAPTPN1KMT2A
SCHEMBL10665587 0.64 MEN1 (0.48) POLBKDM4ELMNAPTPN1KMT2A
SCHEMBL10662753 0.62 FAAH (0.51) POLBLMNAKMT2AALDH1A1MEN1
SCHEMBL8263368 0.62 GALR3 (0.53) POLBKDM4ELMNAKMT2AALDH1A1
SCHEMBL11116026 0.61 MAPT (0.60) POLBKDM4ELMNAPTPN1KMT2A

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-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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