SCHEMBL7517658

SCHEMBL7517658

CC(C)Oc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.59
CA2 P00918 6/20 0.51
CA1 P00915 4/20 0.51
NAMPT P43490 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL3726787 0.87 ACACB (0.46) ACACBCA2CA1NAMPTNR1H4
SCHEMBL21523879 0.86 NPC1 (0.64) NAMPTNR1H4NPC1RAB9APOLB
SCHEMBL29023020 0.85 CA2 (0.48) ACACBCA2CA1NAMPTNPC1
SCHEMBL8757522 0.84 GLA (0.67) CA2CA1NAMPTKDM4ENPC1
SCHEMBL8757517 0.83 CA2 (0.53) CA2CA1NAMPTNPC1RAB9A
SCHEMBL25674677 0.83 CA2 (0.53) CA2CA1NAMPTKDM4ERAB9A
SCHEMBL11687632 0.82 NPC1 (0.56) CA2CA1NAMPTKDM4ENPC1
SCHEMBL27741033 0.82 ACACB (0.59) ACACBCA2CA1NAMPTNR1H4
SCHEMBL1295461 0.81 POLB (0.52) ACACBCA2CA1NR1H4KDM4E
SCHEMBL1569661 0.81 CA2 (0.56) CA2CA1NAMPTNPC1RAB9A

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
EP-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP disclosed