SCHEMBL21100380

SCHEMBL21100380

Cn1cnc(C(=O)NCCCc2ccc(-c3cc(CN4CCC(C(=O)NCCCc5ccc(-c6ccccc6F)cc5)CC4)ccc3F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
POLB P06746 2/20 0.48
ACKR3 P25106 5/20 0.47
LMNA P02545 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL21045273 0.84 HIF1A (0.49) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL29411386 0.84 HIF1A (0.49) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL29411602 0.78 ALDH1A1 (0.48) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL21045499 0.78 ALDH1A1 (0.48) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL21100326 0.73 POLB (0.39) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL29411378 0.72 NAMPT (0.48) TP53POLBKDM4EALDH1A1MEN1
SCHEMBL21045324 0.72 NAMPT (0.48) TP53POLBKDM4EALDH1A1MEN1
SCHEMBL29411623 0.71 MAPT (0.47) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21045387 0.71 MAPT (0.47) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21045396 0.70 HIF1A (0.50) ALDH1A1MEN1KMT2ANPC1SMN1; SMN2

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