SCHEMBL17515971

SCHEMBL17515971

COc1cc(Br)cc(I)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
NQO2 P16083 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
APP P05067 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 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
SCHEMBL8158740 0.88 ERN1 (0.44) ERN1ALOX15ALOX12NQO2MAPT
SCHEMBL19468429 0.80 NQO2 (0.44) ERN1ALOX15ALOX12NQO2MAPT
SCHEMBL15821778 0.78 ERN1 (0.38) ERN1ALOX15ALOX12NQO2MAPT
SCHEMBL16269387 0.78 ERN1 (0.38) ERN1ALOX15ALOX12NQO2MAPT
SCHEMBL16345333 0.78 ERN1 (0.55) ERN1ALOX15ALOX12APPLMNA
SCHEMBL28702635 0.78 HTR2A (0.38) MAPTNPSR1POLBL3MBTL1HTR1A
SCHEMBL31034989 0.74 ERN1 (0.64) ERN1ALOX15MAPTALDH1A1CYP1A2
SCHEMBL31035696 0.74 ERN1 (0.35) ERN1ALOX15ALOX12NQO2MAPT
SCHEMBL19607137 0.73 HSD17B10 (0.45) ALOX15ALOX12MAPTTUBB4ATUBB
SCHEMBL1000103 0.73 MAPT (0.58) ERN1ALOX15ALOX12NQO2MAPT

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
WO-2016022312-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-11 WO disclosed