SCHEMBL29194643

SCHEMBL29194643

Nc1nc(Cc2cccs2)co1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PNP P00491 3/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADCY10 Q96PN6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2719810 0.72 KDM4E (0.50) PIK3CDPIK3CBTAAR1TSHRLMNA
SCHEMBL5758310 0.71 TSHR (0.40) PIK3CDPIK3CBTAAR1TSHRLMNA
SCHEMBL559559 0.71 TAAR1 (0.56) TAAR1TSHRLMNAADRA1DADRA2A
SCHEMBL2224268 0.70 CYP17A1 (0.44) TSHRLMNAPNPHTR6KDM4E
SCHEMBL29167134 0.70 HTR6 (0.64) PIK3CDPIK3CBTAAR1TSHRLMNA
SCHEMBL10950492 0.69 ADRA1D (0.41) PIK3CDPIK3CBTAAR1TSHRLMNA
SCHEMBL27923978 0.69 TAAR1 (0.51) PIK3CDPIK3CBTAAR1TSHRLMNA
SCHEMBL27927550 0.69 TDP1 (0.43) PIK3CDPIK3CBTAAR1TSHRLMNA
SCHEMBL9701516 0.68 PNP (0.53) TSHRLMNAPNPKDM4ESMN1; SMN2
SCHEMBL11848838 0.68 PIK3CD (0.48) PIK3CDPIK3CBTAAR1TSHRLMNA

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
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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