SCHEMBL9159235

SCHEMBL9159235

Nc1cc(SCCO)nc(N)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 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
SCHEMBL9155259 0.86 KMT2A (0.33) KMT2A
SCHEMBL8086252 0.68 KMT2A (0.46) ALDH1A1L3MBTL1KMT2A
SCHEMBL9360688 0.66
SCHEMBL6397360 0.65 NOS3 (0.31)
Water SCHEMBL10474570 0.65
SCHEMBL2292431 0.62 KDM4E (0.31)
SCHEMBL1027789 0.62 TKT (0.33) ALDH1A1L3MBTL1KMT2ACA12CA1
SCHEMBL23482211 0.61 KDM4E (0.44) ALDH1A1L3MBTL1KMT2A
SCHEMBL24706901 0.60 ASIC3 (0.35) ALDH1A1L3MBTL1KMT2ACA12CA1
SCHEMBL30001049 0.60 ASIC3 (0.35) ALDH1A1L3MBTL1KMT2ACA12CA1

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-5466694-A Hair growth regulators L'OREAL (FR) 1995-11-14 US disclosed