SCHEMBL29932859

SCHEMBL29932859

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ FBP1 P09467 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 2/20 0.32

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
SCHEMBL23364834 1.00 MCHR1 (0.40) MCHR1ALDH1A1CYP3A4TDP1TLR8
SCHEMBL23364566 0.82 ALDH1A1 (0.49) ALDH1A1CYP3A4TGFBR1MAPTFBP1
SCHEMBL17414695 0.74 CA1 (0.47) MCHR1ALDH1A1CYP3A4TLR8MAPT
SCHEMBL23364728 0.73 MEN1 (0.45) MCHR1ALDH1A1CYP3A4MAPTLMNA
SCHEMBL29932728 0.73 MEN1 (0.45) MCHR1ALDH1A1CYP3A4MAPTLMNA
SCHEMBL23364617 0.72 MPL (0.52) ALDH1A1TGFBR1MAPTFBP1LMNA
SCHEMBL29932908 0.72 MPL (0.52) ALDH1A1TGFBR1MAPTFBP1LMNA
SCHEMBL30588845 0.70 MCHR1 (0.40) MCHR1TLR8CA1CA2CA7
SCHEMBL26126504 0.70 MCHR1 (0.40) MCHR1TLR8CA1CA2CA7
SCHEMBL18016720 0.67 MCHR1 (0.40) MCHR1ALDH1A1CYP3A4TDP1CA1

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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