SCHEMBL9536890

SCHEMBL9536890

CCOC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
KDM4E B2RXH2 3/20 0.62
PKM P14618 1/20 0.55
MAPT P10636 3/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.54
MAPK10 P53779 1/20 0.54
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52

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
SCHEMBL6923846 0.88 KDM4E (0.56) LMNAKDM4EMAPTHSD17B10MEN1
SCHEMBL1165573 0.85 KDM4E (0.68) LMNAKDM4EPKMMAPTHSD17B10
SCHEMBL31487317 0.85 KDM4E (0.68) LMNAKDM4EPKMMAPTHSD17B10
SCHEMBL14367892 0.85 EGFR (0.68)
SCHEMBL3107169 0.84 KDM4E (0.61) LMNAKDM4EPKMHSD17B10MEN1
SCHEMBL5198795 0.84 KDM4E (0.64) LMNAKDM4EPKMMAPTHSD17B10
SCHEMBL4438241 0.83 KDM4E (0.62) LMNAKDM4EPKMMAPTHSD17B10
SCHEMBL28156124 0.82 HTR2A (0.52) LMNAKDM4EMAPTHSD17B10MEN1
SCHEMBL4266152 0.82 HTR6 (0.70) LMNAKDM4EPKMMAPTHSD17B10
SCHEMBL4259037 0.81 KDM4E (0.57) LMNAKDM4EPKMMAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546164-A1 INDOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS FIDIA RESEARCH FOUNDATION (US) 1993-06-16 EP disclosed
US-5206382-A INDOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS FIDIA GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1993-04-27 US disclosed
WO-1993000334-A1 INDOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS FIDIA - GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1993-01-07 WO disclosed