SCHEMBL9478331

SCHEMBL9478331

O=C(Nc1ccc(Br)c(Cl)c1)NS(=O)(=O)c1ccc2c(c1)C=CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KCNA1 Q09470 7/20 0.44
KCNAB1 Q14722 7/20 0.44
FBP1 P09467 1/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CA2 P00918 4/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 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
SCHEMBL9478350 0.92 MEN1 (0.45) MEN1KMT2AMAPTLMNAHTT
SCHEMBL9480088 0.92 KCNA1 (0.44) MEN1KMT2AMAPTKCNA1KCNAB1
SCHEMBL9477595 0.90 EPHX1 (0.47) MEN1KMT2AMAPTLMNAHTT
SCHEMBL9478605 0.87 MEN1 (0.48) MEN1KMT2ALMNAALDH1A1KCNA1
SCHEMBL7983217 0.85 KCNA1 (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9478381 0.85 CA1 (0.46) MEN1KMT2ALMNAKCNA1KCNAB1
SCHEMBL9478165 0.85 MEN1 (0.48) MEN1KMT2ALMNAALDH1A1KCNA1
SCHEMBL9480112 0.85 MEN1 (0.48) MEN1KMT2AMAPTKCNA1KCNAB1
SCHEMBL9478768 0.85 CA2 (0.44) MEN1KMT2AMAPTKCNA1KCNAB1
SCHEMBL9478322 0.83 CNR2 (0.43) MEN1KMT2AMAPTKCNA1KCNAB1

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