SCHEMBL7590800

SCHEMBL7590800

CC(C)OC(=N)Cc1cn(C)c2cc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK2 P24941 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGER3 P43115 3/20 0.35
TBXA2R P21731 2/20 0.35
S1PR2 O95136 1/20 0.34
MCL1 Q07820 1/20 0.33

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
Hydrochloric Acid SCHEMBL7988085 0.99 PTGER1 (0.38) PTGER1LMNAMAPTALDH1A1NPSR1
SCHEMBL7593245 0.85 KDM4E (0.38) PTGER1LMNAMAPTALDH1A1CDK2
Hydrochloric Acid SCHEMBL7508645 0.85 MAPT (0.36) PTGER1LMNAMAPTALDH1A1NPSR1
SCHEMBL7593453 0.85 MEN1 (0.39) PTGER1LMNAMAPTALDH1A1CDK2
Hydrochloric Acid SCHEMBL7990620 0.84 KDM4E (0.37) PTGER1LMNAMAPTALDH1A1CDK2
Hydrochloric Acid SCHEMBL7990631 0.84 MEN1 (0.39) PTGER1LMNAMAPTALDH1A1CDK2
Hydrochloric Acid SCHEMBL7504307 0.82 ALDH1A1 (0.44) LMNAALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL7499171 0.81 KDM4E (0.38) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL6947129 0.81 GPR84 (0.53) LMNAMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6947124 0.80 GPR84 (0.51) LMNAMAPTALDH1A1KMT2AMEN1

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-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed