SCHEMBL28328211

SCHEMBL28328211

BrC1=CN(Cc2ccccc2)Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
ACHE P22303 1/20 0.36
MC4R P32245 1/20 0.36
RGS4 P49798 1/20 0.36
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR3C1 P04150 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL29809367 0.80 MAPT (0.40) MAPTALDH1A1MEN1APAF1HPGD
SCHEMBL5263685 0.80 MAPT (0.40) MAPTALDH1A1MEN1APAF1HPGD
SCHEMBL3726175 0.79 SMN1; SMN2 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28048169 0.77 OPRM1 (0.41) MEN1HPGDKMT2A
SCHEMBL28266989 0.75 CHRM5 (0.38) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL9221467 0.74 NR3C1 (0.44) MAPTALDH1A1MEN1APAF1HPGD
SCHEMBL18176034 0.66 NR3C1 (0.58) MAPTALDH1A1MEN1APAF1HPGD
SCHEMBL20060315 0.66 NR3C1 (0.45) MAPTALDH1A1MEN1APAF1HPGD
SCHEMBL1466305 0.66 KMT2A (0.60) MAPTALDH1A1MEN1APAF1HPGD
SCHEMBL1127776 0.66 HDAC3 (0.46) MAPTALDH1A1MEN1APAF1HPGD

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-105073744-B Novel heterocyclic compounds as bromine structural domain inhibitor ZENITH EPIGENETICS CORP. (CA) 2019-11-08 CN disclosed