SCHEMBL11543019

SCHEMBL11543019

CCc1nc(Cl)nc(SC)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL7627341 0.84 HSP90AB1 (0.36) HTTHSP90AB1
SCHEMBL19422365 0.84 HSP90AB1 (0.36) HTTHSP90AA1HSP90AB1
SCHEMBL17576105 0.81 HSP90AA1 (0.38) HTTLMNAMAPTKMT2AHSP90AA1
SCHEMBL383476 0.78 ALDH1A1 (0.41) HTTPOLBMAPTKMT2AHSP90AA1
SCHEMBL6765323 0.78 ALDH1A1 (0.50) HTTPOLBLMNAMAPTKMT2A
SCHEMBL7400206 0.78 ALDH1A1 (0.41) LMNA
SCHEMBL1317017 0.78 ALDH1A1 (0.50) LMNA
Benzene SCHEMBL10353060 0.72 ALDH1A1 (0.46) HTTLMNAMAPTKMT2A
SCHEMBL27349521 0.71
SCHEMBL27564840 0.71 CYP1A2 (0.32)

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
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed