SCHEMBL8749321

SCHEMBL8749321

Bc1ccc(Cl)cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
IDO1 P14902 4/20 0.40
HIF1A Q16665 3/20 0.40
ALOX15 P16050 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
SLC22A1 O15245 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPA5 P11021 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40

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
SCHEMBL18829238 0.79 IDO1 (0.41) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL30089455 0.78 IDO1 (0.44) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL384040 0.78 IDO1 (0.44) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL10292145 0.77 CYP3A4 (0.45) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL189771 0.76 TP53 (0.48) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL14232575 0.76 IDO1 (0.39) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL5293792 0.74 NOS3 (0.42) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL269490 0.74 MEN1 (0.41) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL30819621 0.74 NOS3 (0.42) CYP3A4IDO1HIF1AALOX15MEN1
SCHEMBL532613 0.74 NOS3 (0.42) CYP3A4IDO1HIF1AALOX15MEN1

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-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed