SCHEMBL21100607

SCHEMBL21100607

COc1cc(-c2noc(CCCc3ccc(-c4ccc(-c5ncn(Cc6noc(CCCc7ccc(-c8ccccc8F)cc7)n6)n5)cc4F)cc3)n2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
S1PR1 P21453 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL29411568 0.86 L3MBTL1 (0.56) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL21045342 0.86 L3MBTL1 (0.56) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL21045171 0.71 NPC1 (0.57) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL29411389 0.71 NPC1 (0.57) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL21045552 0.71 CYP3A4 (0.40) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL29411460 0.71 CYP3A4 (0.40) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL29411507 0.68 NPC1 (0.70) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL21045514 0.68 NPC1 (0.70) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL21045259 0.67 NPC1 (0.62) L3MBTL1LMNAMAPK1ATMTDP1
SCHEMBL29411556 0.67 NPC1 (0.62) L3MBTL1LMNAMAPK1ATMTDP1

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