SCHEMBL28057077

SCHEMBL28057077

BrCCn1ccc(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.51
KMT2A Q03164 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP19A1 P11511 1/20 0.39
LTA4H P09960 2/20 0.39
MCL1 Q07820 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL27007450 0.85 SCN4A (0.55) SCN4AKMT2ANPC1RAB9ACA1
SCHEMBL27774356 0.83 CYP19A1 (0.54) SCN4AKMT2ANPC1RAB9ACA1
SCHEMBL29095292 0.83 SCN4A (0.52) SCN4AKMT2ANPC1RAB9ACA1
SCHEMBL29095278 0.82 SCN4A (0.48) SCN4AKMT2ANPC1RAB9ACA1
SCHEMBL27568216 0.75 SCN4A (0.47) SCN4AKMT2ACA1CA2LTA4H
SCHEMBL15563236 0.74 SCN4A (0.49) SCN4AKMT2ANPC1RAB9ACA1
SCHEMBL27568071 0.73 SCN4A (0.61) SCN4AKMT2ANPC1RAB9ACA1
SCHEMBL27568214 0.72 SCN4A (0.44) SCN4AKMT2ALTA4H
SCHEMBL17206355 0.72 KMT2A (0.53) SCN4AKMT2ANPC1RAB9ACYP19A1
SCHEMBL27774531 0.71 LTA4H (0.41) SCN4AKMT2ACYP19A1LTA4HKDM4E

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
CN-105451741-A Inhibitors of bruton's tyrosine kinase FUJIAN HAIXI PHARMACEUTICALS CO LTD 2016-03-30 CN disclosed