SCHEMBL6914948

SCHEMBL6914948

O=C(O)c1ccc2c(Cl)cccc2c1.[InH3]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.64
TTR P02766 4/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5664701 0.98 PTPN1 (0.66) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6915348 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6913222 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6915287 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6914950 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6914903 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6916900 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6916903 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6913218 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A
SCHEMBL6915739 0.96 PTPN1 (0.64) PTPN1TTRTSHRMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed