SCHEMBL7723707

SCHEMBL7723707

COc1ccc(F)c(Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
MAPT P10636 5/20 0.36
RAB9A P51151 4/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
G6PD P11413 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TLR9 Q9NR96 1/20 0.36
LMNA P02545 5/20 0.36

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
SCHEMBL12804213 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BMAPTRAB9A
SCHEMBL7939401 0.78 HTR2A (0.42) HTR2AHTR2CHTR2BMAPTRAB9A
SCHEMBL30315940 0.78 TUBB1 (0.40) HTR2AHTR2CHTR2BRAB9AHTT
SCHEMBL30630190 0.78 TUBB1 (0.40) HTR2AHTR2CHTR2BRAB9AHTT
SCHEMBL24321596 0.77 CA2 (0.40) MAPTRAB9AHTTMAPK1LMNA
SCHEMBL15334770 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BMAPTRAB9A
SCHEMBL30330075 0.77 CA2 (0.40) MAPTRAB9AHTTMAPK1LMNA
SCHEMBL31466896 0.77 MAPT (0.38) HTR2AHTR2CHTR2BMAPTRAB9A
SCHEMBL4406929 0.75 HTR2A (0.44) HTR2AHTR2CHTR2BMAPTRAB9A
SCHEMBL21624297 0.75 MAPT (0.48) HTR2AHTR2CHTR2BMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1127457-C Process for electrophilic aromatic substitution BROMINE COMPOUNDS LTD (IL) 2003-11-12 CN disclosed
US-6399835-B1 ALKYLATION, HALOGENATION USING AQUEOUS SOLUTION OF ZINC HALIDE BROMINE COMPOUNDS LTD. (IL) 2002-06-04 US disclosed
CN-1280555-A Process for electrophilic aromatic substitution BROMINE COMPOUNDS LTD (IL) 2001-01-17 CN disclosed
EP-1032549-A1 PROCESS FOR ELECTROPHILIC AROMATIC SUBSTITUTION Bromine Compounds Ltd. (IL) 2000-09-06 EP disclosed
WO-1999019275-A1 PROCESS FOR ELECTROPHILIC AROMATIC SUBSTITUTION BROMINE COMPOUNDS LTD. (IL) 1999-04-22 WO disclosed