SCHEMBL9687121

SCHEMBL9687121

CCOC(=O)N1CCCCN1C(=O)Nc1cc2c(cc1F)sc(=O)n2Cc1noc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
OGA O60502 1/20 0.31
LMNA P02545 1/20 0.31
PARG Q86W56 1/20 0.31
TRPA1 O75762 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPOX P50336 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL9837599 0.81 SHMT2 (0.40) KMT2ATDP1LMNAMAPTKDM4E
SCHEMBL9837655 0.75 SHMT2 (0.39) KMT2ATDP1LMNAMAPTKDM4E
SCHEMBL10844388 0.62 POLB (0.38) KMT2AKDM4EMEN1ALDH1A1USP2
SCHEMBL10990406 0.62 LMNA (0.42) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL9478581 0.59 TP53 (0.37) MAPTKDM4EALDH1A1TSHRUSP2
SCHEMBL9478574 0.59 TP53 (0.37) MAPTKDM4EALDH1A1TSHRUSP2
SCHEMBL9478925 0.58 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9478926 0.58 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL10365806 0.57 ALDH1A1 (0.43) KMT2ATDP1KDM4EMEN1ALDH1A1
SCHEMBL9479007 0.57 POLB (0.37) KMT2ALMNAMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed