SCHEMBL2870100

SCHEMBL2870100

Cc1[nH]c(Cc2ccccc2)nc1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
GAA P10253 4/20 0.44
PKM P14618 3/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR2 P25025 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MAPT P10636 2/20 0.38
RNASEH1 O60930 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALPL P05186 1/20 0.37
PNP P00491 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
SCHEMBL27967729 0.86 GAA (0.41) KMT2AGAAPKMTSHRHPGD
SCHEMBL27967826 0.86 GAA (0.44) KMT2AGAAPKMTSHRMAPT
SCHEMBL27967805 0.85 GAA (0.43) KMT2AGAAPKMTSHRMAPT
SCHEMBL26113182 0.82 NR1H2 (0.55) KMT2AGAAPKMTSHRCXCR2
SCHEMBL3363077 0.82 KMT2A (0.48) KMT2AGAAPKMTSHRMAPT
SCHEMBL26111911 0.79 GAA (0.50) KMT2AGAAPKMTSHRHPGD
SCHEMBL2868950 0.79 MAPK13 (0.44) KMT2AGAAPKMTSHRNR1H2
SCHEMBL2872898 0.78 NR1H2 (0.48) KMT2AGAAPKMTSHRMAPK1
SCHEMBL2871689 0.78 SMN1; SMN2 (0.40) TSHRHPGDHTTSMN1; SMN2MAPT
SCHEMBL2868865 0.77 NR1H2 (0.44) KMT2AGAASMN1; SMN2NR1H2NR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102119240-B Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2014-07-30 CN disclosed
WO-2010016620-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-02-11 WO disclosed