SCHEMBL27296293

SCHEMBL27296293

Clc1c(CCBr)sc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.65
MCL1 Q07820 1/20 0.43
OGG1 O15527 1/20 0.42
GPR3 P46089 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PRNP P04156 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL844195 0.85 LOXL2 (0.69) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL17921221 0.81 LOXL2 (0.65) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL1254026 0.81 LOXL2 (0.76) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL13143573 0.79 LOXL2 (0.61) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL13179819 0.79 LOXL2 (0.61) LOXL2MCL1OGG1GPR3CD274
SCHEMBL660485 0.79 LOXL2 (0.61) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL7896583 0.79 LOXL2 (1.00) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL6481714 0.79 LOXL2 (0.71) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL660322 0.77 LOXL2 (0.59) LOXL2MCL1OGG1GPR3HDAC1
SCHEMBL11210513 0.77 LOXL2 (0.59) LOXL2MCL1OGG1CD274ALDH1A1

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-1035116-A Heterocyclic type oxo-2 guanidine-acetic acid PFIZER (US) 1989-08-30 CN disclosed