SCHEMBL5320908

SCHEMBL5320908

CCOP(=O)(OCC)C(F)(F)c1ccc(Cn2cnc3ccccc32)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 7/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPK1 P28482 1/20 0.44
TNF P01375 1/20 0.43
IDO1 P14902 4/20 0.43
CSF1R P07333 1/20 0.42
FDPS P14324 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL14466598 0.84 PTPN2 (0.54) HTTLMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL5348172 0.77 HDAC6 (0.48) LMNAALDH1A1HDAC1HDAC6
SCHEMBL4900434 0.76 DBH (0.39) PTPRCPTPN2PTPN1
SCHEMBL3748551 0.76 KDM4E (0.41) HTTSMN1; SMN2TSHRALDH1A1PTPN2
SCHEMBL3732029 0.76 KDM4E (0.36) HTTTSHRALDH1A1PTPRCPTPN2
SCHEMBL3742667 0.76 KDM4E (0.41) HTTSMN1; SMN2TSHRALDH1A1HDAC1
SCHEMBL3733049 0.75 PTPN1 (0.38) PTPRCPTPN2PTPN1
SCHEMBL3741679 0.75 PTPN1 (0.41) LMNAPTPRCPTPN2PTPN1
SCHEMBL3742012 0.75 KDM4E (0.40) HTTSMN1; SMN2TSHRALDH1A1
SCHEMBL27696008 0.74 PTPN1 (0.40) PTPRCPTPN2PTPN1

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-2007081755-A2 INDOLE-BENZIMIDAZOLE AND INDAZOLE INHIBITORS OF TYROSINE PHOSPHATASES METABASIS THERAPEUTICS, INC. (US) 2007-07-19 WO disclosed