SCHEMBL21100498

SCHEMBL21100498

O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(OCc2ccc(F)c(-c3ccc(CCCC(=O)Nc4ccccn4)cc3)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPKAPK2 P49137 1/20 0.56
▸ GAA P10253 2/20 0.48
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42

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
SCHEMBL29411509 0.83 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21045420 0.83 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29411464 0.81 KMT2A (0.66) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21045258 0.81 KMT2A (0.66) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL24968055 0.78 MAPT (0.72) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21045079 0.77 MAPT (0.74) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29411505 0.77 MAPT (0.74) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21045207 0.76 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29411541 0.76 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL24967599 0.75 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 — — WO disclosed
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