SCHEMBL19953355

SCHEMBL19953355

O=c1cc(CCl)sc2ccc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.37
EPM2A O95278 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP2A6 P11509 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GABRP O00591 5/20 0.36
GABRD O14764 5/20 0.36
GABRA1 P14867 5/20 0.36
GABRB1 P18505 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 5/20 0.36
GABRB2 P47870 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
SCHEMBL19964535 0.83 CYP2A6 (0.40) MIFEPM2APTPN2PTPN1PTPN22
SCHEMBL19953210 0.83 CYP2A6 (0.46) MIFEPM2APTPN2PTPN1PTPN22
SCHEMBL19953212 0.76 KAT2B (0.37) MIFEPM2APTPN2PTPN1PTPN22
SCHEMBL13907589 0.75 HSP90AA1 (0.47) CYP2A6LMNA
SCHEMBL13907574 0.72 CYP2A6 (0.36) CYP2A6LMNADYRK1A
SCHEMBL5019781 0.70 KDM4E (0.48) MIFEPM2APTPN2PTPN1PTPN22
SCHEMBL29466898 0.70 KDM4E (0.48) MIFEPM2APTPN2PTPN1PTPN22
SCHEMBL19953250 0.70 GPR35 (0.42) EPM2APTPN2PTPN1PTPN22PIM1
SCHEMBL216673 0.69 EPM2A (0.53) MIFEPM2APTPN2PTPN1PTPN22
SCHEMBL29432245 0.69 EPM2A (0.53) MIFEPM2APTPN2PTPN1PTPN22

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
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed