SCHEMBL9841907

SCHEMBL9841907

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL9455580 0.91 ALOX5 (0.36) ALDH1A1GAATDP1ALOX5PTGS1
SCHEMBL9841834 0.88 ACHE (0.43) ALDH1A1GAATDP1ALOX5PTGS1
SCHEMBL9455668 0.83 GAA (0.39) ALDH1A1GAATDP1ALOX5PTGS1
SCHEMBL9123205 0.79 RAB9A (0.41) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL9120229 0.79 RAB9A (0.49) ALDH1A1GAAALOX5PTGS1PTGS2
SCHEMBL9842095 0.77 MKNK1 (0.41) ALDH1A1GAATDP1ALOX5PTGS1
SCHEMBL9841885 0.77 ALDH1A1 (0.47) ALDH1A1GAATDP1ALOX5PTGS1
SCHEMBL3889851 0.77 SMN1; SMN2 (0.64) ALDH1A1GAATDP1SMN1; SMN2RAB9A
SCHEMBL3126822 0.76 ALDH1A1 (0.46) ALDH1A1GAATDP1ALOX5PTGS1
SCHEMBL18459329 0.75 CA2 (0.61) ALDH1A1GAATDP1PTGS1PTGS2

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 5 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
JP-1025756-A None JP disclosed
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