SCHEMBL8948915

SCHEMBL8948915

COC(=O)CC(=O)c1cccc2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 1/20 0.40
CASP3 P42574 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8948846 0.84 MTNR1A (0.46) MTNR1APTPN1KDM4ETP53HSD17B10
SCHEMBL12256707 0.82 PTPN1 (0.47) MTNR1APTPN1KDM4ETP53HSD17B10
SCHEMBL1668640 0.82 NR4A2 (0.54) MTNR1AKDM4EL3MBTL1NR4A2CYP1A2
SCHEMBL6926548 0.82 PTPN1 (0.59) PTPN1KDM4ETP53HSD17B10NR4A2
SCHEMBL4837365 0.80 PTPN1 (0.49) MTNR1APTPN1KDM4ETP53HSD17B10
SCHEMBL4533438 0.80 PTPN1 (0.67) MTNR1APTPN1KDM4ETP53HSD17B10
SCHEMBL14381009 0.79 PTPN1 (0.47) MTNR1APTPN1KDM4ETP53HSD17B10
SCHEMBL4828397 0.79 LMNA (0.44) MTNR1APTPN1KDM4ETP53HSD17B10
SCHEMBL9128168 0.78 MTNR1A (0.53) MTNR1AKDM4EL3MBTL1MEN1KMT2A
SCHEMBL4537274 0.77 MEN1 (0.45) MTNR1APTPN1KDM4ENR4A2PLAU

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
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed