SCHEMBL9733185

SCHEMBL9733185

CC1(C)Oc2ccc(Br)cc2C(N2CCCC2=O)=C1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
IDO1 P14902 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PBRM1 Q86U86 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9733242 0.84 ALDH1A1 (0.39) SMN1; SMN2TSHRKMT2AMEN1LMNA
SCHEMBL9733898 0.84 ABCC9 (0.45) SMN1; SMN2TSHRLMNAPOLBMALT1
SCHEMBL9733223 0.84 MEN1 (0.38) KMT2AMEN1KDM4EHTTRAB9A
SCHEMBL9733029 0.81 ALDH1A1 (0.38) SMN1; SMN2TSHRKMT2AMEN1LMNA
SCHEMBL9737580 0.81 SMN1; SMN2 (0.35) SMN1; SMN2TSHRKMT2AMEN1LMNA
SCHEMBL9665033 0.76 NPC1 (0.35) SMN1; SMN2TSHRKMT2AMEN1LMNA
SCHEMBL9737951 0.74 PTGER1 (0.34) SMN1; SMN2TSHRKMT2AKDM4EPOLB
SCHEMBL9733388 0.74 NR1H4 (0.32) KMT2AMEN1HTTRAB9A
SCHEMBL9846729 0.74 BACE1 (0.37) TSHRKMT2AMEN1POLBIDO1
SCHEMBL9664156 0.70 HDAC3 (0.34) SMN1; SMN2TSHRKMT2AMEN1LMNA

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
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed