SCHEMBL4966244

SCHEMBL4966244

CCOCn1c(C(F)(F)F)nc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.49
SGK1 O00141 1/20 0.43
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPN5 P54829 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
MCL1 Q07820 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL4969422 0.87 F2 (0.50) NR1I2MEN1KMT2ALMNAMAPT
SCHEMBL7750649 0.73 DCTPP1 (0.41) LMNAMAPTCYP1A2CYP2C9CNR1
SCHEMBL8927745 0.72 SLC2A1 (0.43) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL615353 0.69 KDM4E (0.57) NR1I2MEN1KMT2ALMNAMAPT
SCHEMBL618667 0.69 NR1I2 (0.56) NR1I2MEN1KMT2AMAPTPPARG
SCHEMBL617197 0.68 PKM (0.44) NR1I2MEN1KMT2AHIF1ALMNA
SCHEMBL13106647 0.66 MEN1 (0.57) NR1I2PTPN2PTPN1PTPN5MEN1
SCHEMBL617578 0.65 HSD11B1 (0.45) NR1I2MEN1KMT2ALMNA
SCHEMBL622613 0.65 KMT2A (0.52) NR1I2KMT2AMAPT
SCHEMBL13248536 0.65 HSD11B1 (0.45) NR1I2MEN1KMT2ALMNA

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
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP claimed