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SCHEMBL5320486

SCHEMBL5320486

Cc1[nH]c2ccc(F)cc2c1Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1.O=P(O)(O)C(F)(F)c1ccc(Cn2c(-c3ccccc3)cc3ccccc32)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.36
▸ PTPN2 P17706 2/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ PPARG P37231 4/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ SNCA P37840 1/20 0.32
▸ PTGS1 P23219 1/20 0.32

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
SCHEMBL5318338 0.82 PTPN1 (0.48) PTPN1PTPN2PTPRCPTGS2PPARG
SCHEMBL5353684 0.71 PTPN1 (0.42) PTPN1PTPN2PTPRCPTGDR2PTGS2
SCHEMBL5322648 0.69 PTPN1 (0.51) PTPN1PTPN2PTPRCKDM4E
SCHEMBL5344606 0.67 HDAC1 (0.53) PTPN1PTPN2PTPRCPPARG
SCHEMBL3986875 0.67 PTGS2 (0.50) PTGS2KDM4ESNCAPTGS1
SCHEMBL5389043 0.67 IDO1 (0.42) PTPN1PTPN2PTPRC
SCHEMBL5321990 0.67 GPR84 (0.50) PTPN1PTPN2SNCA
SCHEMBL5317466 0.66 HDAC1 (0.45) PTPN1PTPN2PTPRCPTGDR2
SCHEMBL14090377 0.66 PTPN1 (0.46) PTPN1PTPN2PTPRC
SCHEMBL5343124 0.66 PTPN1 (0.47) PTPN1PTPN2PTPRC

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