SCHEMBL28201287

SCHEMBL28201287

O=C(OC(=O)C1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
ATM Q13315 1/20 0.60
POLB P06746 3/20 0.46
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ELANE P08246 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL28953078 0.95 RAB9A (0.54) RAB9AATMPOLBPTPRFPTPN2
SCHEMBL5788955 0.83 ELANE (0.58) ATMPOLBKMT2AMEN1ELANE
SCHEMBL775369 0.81 TDP1 (0.48) RAB9APOLBKMT2AMEN1ELANE
SCHEMBL5401016 0.81 ELANE (0.55) ATMPOLBKMT2AMEN1ELANE
SCHEMBL11898542 0.80 MIF (0.43) RAB9AATMPOLBKMT2AMEN1
SCHEMBL11898583 0.78 MIF (0.43) RAB9AATMPOLBKMT2AMEN1
SCHEMBL28823439 0.78 ELANE (0.47) RAB9APOLBKMT2AELANESMN1; SMN2
SCHEMBL14335438 0.77 SRD5A2 (0.62) RAB9AATMPOLBKMT2AMEN1
SCHEMBL6654105 0.77 TSHR (0.48) POLBELANESMN1; SMN2LMNATDP1
SCHEMBL26622715 0.77 SRD5A2 (0.62) RAB9AATMPOLBKMT2AMEN1

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-107646036-A Pyrazole derivatives useful as inhibitors of 5-lipoxygenase activating protein (F L AP) 阿斯利康(瑞典)有限公司 2018-01-30 CN disclosed