SCHEMBL27882124

SCHEMBL27882124

CCCC(C)(C)N1c2ccccc2SC1SN

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL27899646 0.91 GSK3B (0.34) —
SCHEMBL27882193 0.86 CYP3A4 (0.30) —
SCHEMBL535563 0.82 MAOA (0.32) —
SCHEMBL27899641 0.80 — —
SCHEMBL22689409 0.74 ALDH1A1 (0.37) ALDH1A1POLBPKMTSHR
SCHEMBL9249337 0.71 KDM1A (0.40) ALDH1A1POLBPKMTSHR
SCHEMBL22689598 0.70 GSK3B (0.36) ALDH1A1POLBPKMTSHR
SCHEMBL22689597 0.69 GSK3B (0.38) ALDH1A1
SCHEMBL22689596 0.69 GSK3B (0.38) ALDH1A1
SCHEMBL22689967 0.69 GSK3B (0.38) ALDH1A1

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
CN-102803372-A Rubber composition BRIDGESTONE CORP 2012-11-28 — — CN disclosed
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