SCHEMBL8797288

SCHEMBL8797288

C=C(C(=O)Oc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.53
TDP1 Q9NUW8 3/20 0.50
ATM Q13315 1/20 0.50
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 3/20 0.41
LDHA P00338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL39276 0.87 TDP1 (0.57) ELANETDP1ATMHPGDPARP10
SCHEMBL28064884 0.83 CES2 (0.58) ELANETDP1ATMRAB9ANPC1
SCHEMBL6060174 0.78 PARP10 (0.65) TDP1RAB9ANPC1HPGDPARP10
SCHEMBL28064883 0.78 CES2 (0.56) ELANETDP1ATMRAB9ANPC1
SCHEMBL28064881 0.78 CES2 (0.54) ELANETDP1RAB9ANPC1MAPT
Styrene SCHEMBL28090716 0.77 ATM (0.48) ELANETDP1ATMRAB9APARP10
SCHEMBL27220136 0.76 KMT2A (0.68) ELANETDP1ATMRAB9AMAPT
SCHEMBL3373192 0.75 ATM (0.49) ELANETDP1ATMKMT2AMEN1
SCHEMBL9575390 0.74 LDHA (0.41) ELANEATMRAB9AMAPTLDHA
SCHEMBL31478261 0.74 CES2 (0.58) ATMRAB9ANPC1HPGDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed