SCHEMBL9478804

SCHEMBL9478804

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.40
CA12 O43570 6/20 0.39
CA9 Q16790 6/20 0.39
CA2 P00918 6/20 0.39
CA1 P00915 5/20 0.39
KCNA1 Q09470 7/20 0.39
KCNAB1 Q14722 7/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9478434 0.92 MEN1 (0.48) MEN1KMT2AIDO1TP53CA12
SCHEMBL9478605 0.92 MEN1 (0.48) MEN1KMT2AIDO1TP53CA12
SCHEMBL9478799 0.90 MEN1 (0.60) MEN1KMT2ATP53CA12CA9
SCHEMBL9480079 0.87 MEN1 (0.48) MEN1KMT2AIDO1TP53CA12
SCHEMBL9478350 0.87 MEN1 (0.45) MEN1KMT2ACA12CA9CA2
SCHEMBL9478282 0.86 MEN1 (0.47) MEN1KMT2ATP53CA9CA2
SCHEMBL9476500 0.85 CA1 (0.46) MEN1KMT2AIDO1TP53CA12
SCHEMBL9477511 0.85 TP53 (0.56) MEN1KMT2ATP53CA12CA9
SCHEMBL9564640 0.85 CA2 (0.52) MEN1KMT2AIDO1CA2KCNA1
SCHEMBL9478322 0.85 CNR2 (0.43) MEN1KMT2ACA12CA9CA2

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