SCHEMBL22232146

SCHEMBL22232146

Cc1cc(N)c(Cl)c(Nc2ncccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.37
LMNA P02545 2/20 0.35
SCN9A Q15858 1/20 0.34
SLC40A1 Q9NP59 2/20 0.34
POLB P06746 2/20 0.33
PIK3CG P48736 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL29454055 1.00 PLAU (0.37) PLAULMNASCN9ASLC40A1POLB
SCHEMBL29454154 0.81 MEN1 (0.50) MAPTKDM4EGAARAB9AMEN1
SCHEMBL22232308 0.81 MEN1 (0.50) MAPTKDM4EGAARAB9AMEN1
SCHEMBL29454077 0.80 RAB9A (0.43) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL22232392 0.80 RAB9A (0.43) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL31723212 0.80 RAB9A (0.43) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL29454255 0.75 LCK (0.38) POLBALDH1A1MAPTKDM4EGAA
SCHEMBL22231909 0.75 LCK (0.38) POLBALDH1A1MAPTKDM4EGAA
SCHEMBL31723213 0.75 DHODH (0.43) LMNAPOLBALDH1A1KDM4ERAB9A
SCHEMBL29454100 0.75 DHODH (0.43) LMNAPOLBALDH1A1KDM4ERAB9A

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-3911629-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2021-11-24 EP claimed
WO-2020148617-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-07-23 WO claimed