SCHEMBL4089998

SCHEMBL4089998

CC(C)n1cnc2cccc(Br)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CDK1 P06493 2/20 0.37
ABL1 P00519 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HCAR3 P49019 1/20 0.36
USP5 P45974 1/20 0.36
FGFR1 P11362 2/20 0.34
GRM2 Q14416 1/20 0.34
PRPS1 P60891 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL22598707 0.82 PSMB8 (0.41) MEN1HPGDKMT2AHSD17B10ADORA2A
SCHEMBL26956220 0.80 ALDH1A1 (0.48) MEN1HPGDKMT2AHSD17B10ADORA2A
SCHEMBL18762215 0.80 MEN1 (0.41) MEN1HPGDKMT2AHSD17B10ADORA2A
SCHEMBL31698451 0.76 ESR1 (0.41) MEN1HPGDKMT2AHSD17B10ADORA2A
SCHEMBL9981015 0.76 DPP4 (0.41) MEN1KMT2AFGFR1PRPS1RAB9A
SCHEMBL7027324 0.72 ADORA2A (0.42) MEN1HPGDKMT2AHSD17B10ADORA2A
SCHEMBL1027011 0.69 HPGD (0.68) MEN1HPGDKMT2AHSD17B10HCAR3
SCHEMBL31390868 0.68 HCAR3 (0.57) HPGDADORA2AADORA1ABL1HCAR3
Hydrochloric Acid SCHEMBL9787788 0.68 HPGD (0.66) MEN1HPGDKMT2AHSD17B10HCAR3
Bromide SCHEMBL10432863 0.68 HPGD (0.66) MEN1HPGDKMT2AHSD17B10HCAR3

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-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed