SCHEMBL9478282

SCHEMBL9478282

O=C(Nc1ccc(C(F)(F)F)c(F)c1)NS(=O)(=O)c1ccc2c(c1)CC=C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 7/20 0.41
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
RORC P51449 2/20 0.38
KCNA1 Q09470 2/20 0.38
KCNAB1 Q14722 2/20 0.38
KIF11 P52732 1/20 0.38
IDH2 P48735 4/20 0.38

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
SCHEMBL9478847 0.92 MEN1 (0.47) MEN1KMT2AEPHX2TP53NAMPT
SCHEMBL9478180 0.90 CA2 (0.44) MEN1KMT2ATP53NAMPTCA1
SCHEMBL9476568 0.90 CA1 (0.40) MEN1KMT2ATP53CA1CA2
SCHEMBL9478799 0.89 MEN1 (0.60) MEN1KMT2ATP53CA1CA2
SCHEMBL9478804 0.86 MEN1 (0.48) MEN1KMT2ATP53CA1CA2
SCHEMBL9480079 0.86 MEN1 (0.48) MEN1KMT2ATP53NAMPTCA1
SCHEMBL9478543 0.86 HRH3 (0.49) EPHX2TP53CA1CA2CA9
SCHEMBL9477511 0.85 TP53 (0.56) MEN1KMT2ATP53CA1CA2
SCHEMBL9478434 0.84 MEN1 (0.48) MEN1KMT2ATP53CA1CA2
SCHEMBL9564640 0.84 CA2 (0.52) MEN1KMT2ACA2KCNA1KCNAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262440-A Treatment of neoplasms ELI LILLY AND COMPANY (US) 1993-11-16 US disclosed
EP-0546763-A1 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-06-16 EP disclosed