SCHEMBL4563907

SCHEMBL4563907

CCC(NC(=O)N(N)C(=O)c1ccccc1-c1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TACR1 P25103 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BCAT2 O15382 1/20 0.39
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ SCN1A P35498 3/20 0.38
▸ SCN2A Q99250 3/20 0.38
▸ SCN3A Q9NY46 3/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 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
SCHEMBL1895539 0.76 MAPT (0.52) SMN1; SMN2ALDH1A1MAPTCHRNB2CHRNB4
SCHEMBL4563905 0.74 TACR1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL419386 0.68 MAPT (0.49) SMN1; SMN2ALDH1A1MAPTGAAL3MBTL1
SCHEMBL2484726 0.67 MEN1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3629780 0.67 MEN1 (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1895537 0.67 ABCB1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8696618 0.66 KMT2A (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14134492 0.66 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28815916 0.66 BCAT2 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1TACR1
SCHEMBL6677412 0.65 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1TACR1

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
EP-2124921-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2009-12-02 — — EP disclosed
WO-2008147474-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2008-12-04 — — WO disclosed
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