SCHEMBL12264656

SCHEMBL12264656

O=C1CNC(=O)C1c1cc2cc3sccc3cc2s1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.31

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
SCHEMBL12264641 0.83 GPR35 (0.36)
SCHEMBL2396347 0.68 ALDH1A1 (0.42)
SCHEMBL12264651 0.67 DYRK1A (0.33)
SCHEMBL13191587 0.64
SCHEMBL4424842 0.64 BACE1 (0.43)
SCHEMBL164774 0.64 CYP2A6 (0.50)
SCHEMBL148089 0.63 DYRK1A (0.40)
SCHEMBL15087975 0.62 CYP2A6 (0.38)
SCHEMBL18909194 0.61 BACE1 (0.41)
SCHEMBL4430674 0.60 CYP2A6 (0.37)

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
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed