SCHEMBL20082255

SCHEMBL20082255

C=C(NC)[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL11355255 0.91 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4089525 0.91 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4090160 0.91 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL11961399 0.90 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL11961400 0.90 LMNA (0.40) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4089514 0.88 RAB9A (0.43) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL4087124 0.88 RAB9A (0.43) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL3247283 0.88 RAB9A (0.43) LMNAGAAMEN1KMT2AMAPK14
SCHEMBL11357917 0.87 MEN1 (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL17286674 0.87 MEN1 (0.39) LMNAGAAMEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed