SCHEMBL29901815

SCHEMBL29901815

CNS(=O)(=O)c1ccc(NC(C)=O)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CA1 P00915 2/20 0.39

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
SCHEMBL22635667 1.00 ATM (0.48) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL20779824 0.84 NPC1 (0.52) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL30411362 0.84 NPC1 (0.52) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL20766317 0.82 MAPT (0.46) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL20779713 0.82 TEAD1 (0.52) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL25790320 0.81 TEAD1 (0.43) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL20779823 0.81 MAPT (0.45) ATMALDH1A1KDM4EMAPTNPC1
SCHEMBL25789101 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL30409574 0.71 TNNI3K (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL20766204 0.71 TNNI3K (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1

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
EP-3691623-B1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS INC (US) 2022-10-05 — — EP disclosed
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