SCHEMBL486060

SCHEMBL486060

C=CCc1ccc(C(N)=O)c(O)c1CC=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ERN1 O75460 1/20 0.39
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.35
SRD5A1 P18405 2/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
AKR1B1 P15121 1/20 0.32
JAK1 P23458 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
SCHEMBL8957163 0.85 SRD5A1 (0.43) GABRA1GABRB2ERN1KDM4EPOLB
SCHEMBL299374 0.85 SELL (0.41) GABRA1GABRB2KDM4EPOLBTSHR
SCHEMBL9764452 0.83 KDM4E (0.36) GABRA1GABRB2MAPK1KDM4EPOLB
SCHEMBL8852216 0.80 KDM4E (0.36) GABRA1GABRB2MAPK1KDM4EPOLB
SCHEMBL14058648 0.80 KDM4E (0.42) ERN1MAPK1KDM4ESRD5A1MAPT
SCHEMBL8824319 0.78 GABRA1 (0.44) GABRA1GABRB2KDM4EMAPTALDH1A1
SCHEMBL12611132 0.78 GABRA1 (0.58) GABRA1GABRB2MAPK1KDM4EMAPT
SCHEMBL1005361 0.78 GABRA1 (0.55) GABRA1GABRB2MAPK1KDM4EPOLB
SCHEMBL28289001 0.77 ERN1 (0.38) GABRA1GABRB2ERN1MAPK1KDM4E
SCHEMBL15824990 0.75 GABRA1 (0.41) GABRA1GABRB2KDM4EPOLBALDH1A1

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-2411388-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2012-02-01 EP disclosed
WO-2010111418-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed