SCHEMBL1818424

SCHEMBL1818424

CCc1ccc(S(=O)(=O)N2CCOc3ccc(-c4cc(C)c(C#N)[nH]4)cc32)o1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 1/20 0.36
▸ PDE3B Q13370 4/20 0.36
▸ PDE3A Q14432 4/20 0.36
▸ CYP2C9 P11712 1/20 0.34
▸ RIPK2 O43353 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PTGER3 P43115 1/20 0.30

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
SCHEMBL1817165 0.82 MEN1 (0.41) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1817452 0.80 MEN1 (0.40) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819624 0.80 MEN1 (0.40) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819909 0.78 MEN1 (0.40) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1816096 0.78 MEN1 (0.38) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1818453 0.77 PDE3B (0.39) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819706 0.76 MEN1 (0.43) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819765 0.73 MEN1 (0.43) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1820079 0.70 MEN1 (0.40) MEN1KMT2AMAPTTP53PDE3B
SCHEMBL1819521 0.70 MEN1 (0.40) MEN1KMT2AMAPTTP53PDE3B

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-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 — — WO claimed
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