SCHEMBL1867175

SCHEMBL1867175

NS(=O)(=O)c1ccc(OCC2(CF)CCNCC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 9/20 0.45
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
VCAM1 P19320 1/20 0.35
MMP3 P08254 1/20 0.34
MMP10 P09238 1/20 0.34

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
SCHEMBL1700453 0.86 SOS1 (0.46) SOS1PTGS1PTGS2CA2CA1
SCHEMBL1867512 0.82 SOS1 (0.36) SOS1PTGS1PTGS2CA2CA1
SCHEMBL1863585 0.81 SOS1 (0.35) SOS1CA2CA1CA9
SCHEMBL1700536 0.74 MEN1 (0.40) SOS1PTGS1PTGS2CA2CA1
SCHEMBL30921523 0.74 CA2 (0.43) SOS1CA2CA1CA9CA12
SCHEMBL1700142 0.74 CA2 (0.43) SOS1CA2CA1CA9CA12
SCHEMBL1700537 0.72 SOS1 (0.45) SOS1PTGS1PTGS2CA2CA1
SCHEMBL1958517 0.70 PTGS1 (0.36) SOS1PTGS1PTGS2CA2CA1
SCHEMBL1957280 0.70 PTGS1 (0.36) SOS1PTGS1PTGS2CA2CA1
SCHEMBL1957281 0.70 PTGS1 (0.36) SOS1PTGS1PTGS2CA2CA1

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
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed