SCHEMBL29932908

SCHEMBL29932908

Cc1cccc(C(F)(F)F)c1-c1nc(N)sc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 5/20 0.52
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RORB Q92753 3/20 0.38
▸ TGFBR1 P36897 1/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23364617 1.00 MPL (0.52) MPLMEN1KMT2ANPC1RAB9A
SCHEMBL23364566 0.85 ALDH1A1 (0.49) MPLMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29932787 0.84 MPL (0.50) MPLMEN1KMT2ANPC1RAB9A
SCHEMBL23364828 0.84 MPL (0.50) MPLMEN1KMT2ANPC1RAB9A
SCHEMBL23364821 0.78 MPL (0.55) MPLMEN1KMT2ANPC1RAB9A
SCHEMBL29932816 0.78 MPL (0.55) MPLMEN1KMT2ANPC1RAB9A
SCHEMBL23364767 0.78 MPL (0.40) MPLMEN1KMT2AALDH1A1HPGD
SCHEMBL29932859 0.72 MCHR1 (0.40) MEN1KMT2AALDH1A1TGFBR1FBP1
SCHEMBL23364834 0.72 MCHR1 (0.40) MEN1KMT2AALDH1A1TGFBR1FBP1
SCHEMBL23364670 0.72 MPL (0.60) MPLMEN1KMT2ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058439-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY Genzyme Corporation (US) 2022-09-21 — — EP disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 — — CN disclosed
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