SCHEMBL21376790

SCHEMBL21376790

O=C(Nc1cc(-c2ccc(F)cc2)n[nH]1)c1cccc(SN2CCc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 9/20 0.38
LMNA P02545 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TACR3 P29371 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL21376583 0.86 MAPT (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL21376607 0.80 MEN1 (0.37) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL664968 0.80 L3MBTL1 (0.60) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29977930 0.80 L3MBTL1 (0.60) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL21376928 0.75 L3MBTL1 (0.61) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL665103 0.73 RORC (0.59) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29978121 0.73 RORC (0.59) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL21376803 0.72 RXFP1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21376808 0.71 RAB9A (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL21376787 0.71 AKR1C3 (0.53) MEN1KMT2AMAPTLMNAALDH1A1

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-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed