SCHEMBL9842110

SCHEMBL9842110

Cc1ccnc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.44
SRC P12931 4/20 0.43
ZAP70 P43403 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
CA2 P00918 2/20 0.41
TYR P14679 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDK2 P24941 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
AURKA O14965 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 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
SCHEMBL9841885 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL9119421 0.80 SYK (0.44) SYKSMN1; SMN2POLBNPC1RAB9A
SCHEMBL6131350 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL9828534 0.78 SYK (0.44) SYKSMN1; SMN2POLBNPC1RAB9A
SCHEMBL10574173 0.76 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL21004267 0.75 CDK2 (0.50) SYKSMN1; SMN2ALDH1A1CDK2NPC1
SCHEMBL1668655 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL2504479 0.73 SYK (0.46) SYKSRCZAP70SMN1; SMN2POLB
SCHEMBL3126822 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL18459329 0.73 CA2 (0.61) SMN1; SMN2ALDH1A1POLBCA2TYR

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