SCHEMBL30476769

SCHEMBL30476769

c1csc(Cc2cnc[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 7/20 0.53
▸ HRH4 Q9H3N8 2/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3787961 0.73 FDPS (0.47) —
SCHEMBL349261 0.69 ADRA1D (1.00) ADRA1DHRH4HRH3
SCHEMBL27551588 0.68 ADRA1D (1.00) ADRA1DHRH4HRH3CYP3A4MAPT
SCHEMBL5548998 0.67 TAAR1 (0.47) MAPT
Immethridine SCHEMBL29462340 0.66 HRH3 (1.00) ADRA1DHRH4HRH3CYP3A4MAPT
SCHEMBL6163997 0.66 CYP17A1 (0.50) HRH4HRH3CYP3A4MAPTSMN1; SMN2
SCHEMBL15223334 0.65 — —
SCHEMBL5415171 0.65 — —
SCHEMBL6167806 0.64 NR1H3 (0.56) HRH4HRH3CYP3A4SMN1; SMN2
SCHEMBL19368365 0.64 ADRA2A (0.44) CYP3A4SMN1; SMN2

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-4164690-A1 SMALL MOLECULE VE-PTP INHIBITORS Ripka, Amy (US) 2023-04-19 — — EP disclosed
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