SCHEMBL9841834

SCHEMBL9841834

CC(C)c1cc(Nc2cnccn2)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
APP P05067 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL9841907 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9455580 0.80 ALOX5 (0.36) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL10615233 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9455668 0.73 GAA (0.39) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL9827977 0.72 BRAF (0.39) ACHE
SCHEMBL9122017 0.72 RAB9A (0.42) ACHEALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL9123205 0.72 RAB9A (0.41) SMN1; SMN2KDM4ERAB9ANPC1GAA
SCHEMBL9120229 0.71 RAB9A (0.49) ACHEALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL9842095 0.67 MKNK1 (0.41) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL9721890 0.67 CA2 (0.48) ALDH1A1SMN1; SMN2KDM4EGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP claimed
US-5059598-A Antiinflammatory agents; lipoxygenase inhibitors; arthritis; asthma OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-10-22 US disclosed
US-4868183-A ANTIINFLAMMATORY, ENZYME INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-09-19 US disclosed
EP-0254259-A2 p-Aminophenol derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-01-27 EP disclosed