SCHEMBL10123543

SCHEMBL10123543

CC(F)(F)C(C)(NC(=O)Nc1cccc(F)c1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ HTT P42858 1/20 0.59
▸ MTOR P42345 3/20 0.56
▸ RAB9A P51151 10/20 0.52
▸ MAPT P10636 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ PLEC Q15149 1/20 0.52
▸ NPC1 O15118 7/20 0.50
▸ GBA1 P04062 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ KCNJ6 P48051 1/20 0.47
▸ KCNJ5 P48544 1/20 0.47
▸ KCNJ3 P48549 1/20 0.47
▸ NFKB1 P19838 1/20 0.47

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
SCHEMBL420864 0.94 MEN1 (0.65) MEN1KMT2AHTTMTORRAB9A
SCHEMBL10123510 0.86 KMT2A (0.59) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL13993503 0.84 KMT2A (0.62) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL12932746 0.83 RAB9A (0.59) MEN1KMT2AHTTMTORRAB9A
SCHEMBL10123470 0.83 MAPT (0.64) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL10123473 0.82 PDK1 (0.62) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL10123384 0.82 MAPT (0.67) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL10123462 0.81 HTT (0.54) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL10123471 0.81 PDK1 (0.63) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL10123472 0.80 CA1 (0.62) MEN1KMT2AHTTMAPT

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
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 — — WO 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
Send feedback