SCHEMBL3811712

SCHEMBL3811712

CC(C)N(C(=O)c1cc(F)c(Cl)cc1F)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.34
▸ GPR27 Q9NS67 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 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
SCHEMBL3809821 0.88 CYP11B1 (0.35) ACLYGPR27MAPTTP53
SCHEMBL3809158 0.86 POLB (0.39) MAPTHPGDMEN1ALDH1A1GAA
SCHEMBL2157936 0.86 MAPT (0.38) ACLYMAPTMEN1KMT2AKDM4E
SCHEMBL3809084 0.84 CYP1A2 (0.39) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL3814669 0.82 NTRK1 (0.43) GPR27HPGDALDH1A1GAANPSR1
SCHEMBL3816830 0.81 MAPT (0.35) MAPT
SCHEMBL3816598 0.81 MAPT (0.35) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL3811259 0.80 KDM4E (0.43) MAPTALDH1A1NPSR1KDM4ETP53
SCHEMBL3809443 0.80 HTR2C (0.41) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL3812631 0.80 ACLY (0.41) ACLYMAPTHPGDKMT2ANPC1

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
Send feedback