SCHEMBL5321990

SCHEMBL5321990

O=P(O)(O)C(F)(F)c1ccc(Cc2c[nH]c3ccc(F)cc23)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.50
MPO P05164 8/20 0.45
TSHR P16473 1/20 0.44
SLC6A4 P31645 1/20 0.44
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
SNCA P37840 2/20 0.42
HTR2A P28223 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NOTUM Q6P988 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR1A P08908 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL3739229 0.74 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL31744625 0.74 GPR84 (0.71) GPR84MPOTSHRSLC6A4HTR2A
SCHEMBL5317466 0.72 HDAC1 (0.45) PTPN1PTPN2
SCHEMBL7592726 0.71 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL7193731 0.71 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL3742965 0.71 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3738325 0.71 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL7187515 0.70 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL31744628 0.70 GPR84 (0.73) GPR84MPOTSHRSLC6A4HTR2A
SCHEMBL18383118 0.70 GPR84 (1.00) GPR84MPOTSHRSLC6A4HTR2A

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 claimed