SCHEMBL20828311

SCHEMBL20828311

CC(C)c1cccc(OCc2nnc(-c3ccc(NC(=O)c4ccc(CN5CCC5)cc4F)cn3)n2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 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
SCHEMBL30234297 0.76 SIRT2 (0.37) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL30602664 0.76 SIRT2 (0.37) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL20828305 0.76 SIRT2 (0.37) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL20828310 0.70 ALDH1A1 (0.40) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL30602672 0.70 ALDH1A1 (0.40) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL20828403 0.69 DGAT1 (0.41) RAB9ASMN1; SMN2LMNANPC1MAPT
SCHEMBL20828406 0.69 SLC6A5 (0.44) KMT2AMCHR1
SCHEMBL20832880 0.66 MAPT (0.46) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL22227987 0.66 VCP (0.41) NPC1KMT2AKDM4EALDH1A1TDP1
SCHEMBL20828522 0.66 RAB9A (0.43) RAB9ANPC1MAPTMEN1KMT2A

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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