SCHEMBL15085646

SCHEMBL15085646

O=C(NCC1CC1)c1cc(Cl)cc(Br)c1NC(=O)C1CC(c2cc([N+](=O)[O-])ccc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
F10 P00742 1/20 0.31
KCNH2 Q12809 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 2/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
NR4A1 P22736 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
SCHEMBL15085535 0.93 MALT1 (0.34) P2RX7ALDH1A1NPC1MEN1KMT2A
SCHEMBL15085667 0.90 P2RX7 (0.35) P2RX7F10KCNH2CTSLCTSB
SCHEMBL15085580 0.89 P2RX7 (0.34) P2RX7F10KCNH2CTSLCTSB
SCHEMBL15085578 0.89 CNR2 (0.35) P2RX7ALDH1A1NPC1MEN1KMT2A
SCHEMBL15085530 0.88 ALDH1A1 (0.33) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL15085639 0.87 P2RX7 (0.36) P2RX7KCNH2
SCHEMBL15085626 0.86 P2RX7 (0.38) P2RX7KCNH2
SCHEMBL1148239 0.85 P2RX7 (0.35) P2RX7ALDH1A1NPC1MEN1KMT2A
SCHEMBL15085596 0.84 MALT1 (0.35) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL1148230 0.84 GPR17 (0.34) P2RX7ALDH1A1MEN1KMT2AF10

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
US-8481744-B2 Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-07-09 US disclosed