SCHEMBL9879616

SCHEMBL9879616

Cc1nonc1COc1cc(N)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.32
DHFR P00374 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.31
MBOAT4 Q96T53 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 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
SCHEMBL8599602 0.75 PPOX (0.45) PPOXALDH1A1POLBMEN1KMT2A
SCHEMBL9872127 0.72 SYK (0.37) MEN1KMT2ANPC1RAB9A
SCHEMBL9873170 0.70 NPC1 (0.37) PPOXALDH1A1POLBMEN1KMT2A
SCHEMBL9872059 0.69 NPC1 (0.43) PPOXDHFRALDH1A1POLBMEN1
SCHEMBL8604315 0.69 CSNK2A1 (0.49) PPOXDHFRALDH1A1POLBMEN1
SCHEMBL17543219 0.69 MRGPRX4 (0.47)
SCHEMBL810931 0.69 MGAM (0.47) NPC1L3MBTL1RAB9A
SCHEMBL31442635 0.69 MGAM (0.47) NPC1L3MBTL1RAB9A
SCHEMBL8599263 0.68 GLA (0.50) PPOXDHFRALDH1A1POLBMEN1
SCHEMBL9871713 0.68 NPC1 (0.38) PPOXNPC1

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
US-5017213-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1991-05-21 US disclosed
EP-0351641-A1 1-Phenylpyrrole NIHON BAYER AGROCHEM K.K. (JP) 1990-01-24 EP disclosed