SCHEMBL28069664

SCHEMBL28069664

COC(=O)c1cc(CCBr)on1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPK1 P28482 3/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOTUM Q6P988 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5243287 0.86 MRGPRX4 (0.51) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL9259869 0.84 HPGD (0.47) SMN1; SMN2HSD17B10MAPK1TP53MAPT
SCHEMBL18255998 0.81 MRGPRX4 (0.52) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL18973243 0.81 MRGPRX4 (0.52) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL4551138 0.81 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL9047880 0.79 MRGPRX4 (0.58) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL10644438 0.79 MRGPRX4 (0.55) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL8145313 0.79 MRGPRX4 (0.51) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL10641694 0.79 MRGPRX4 (0.51) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53
SCHEMBL10644274 0.79 MRGPRX4 (0.58) SMN1; SMN2HSD17B10MAPK1MRGPRX4TP53

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-105566324-A Hydroxyl purine compound and application thereof GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-05-11 CN disclosed