SCHEMBL20828403

SCHEMBL20828403

CC(C)c1cccc(OCc2nnc(-c3ccc(NC(=O)c4ccc(CN(C)C)cn4)cc3)n2C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 9/20 0.41
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGER1 P34995 2/20 0.36
▸ CBLB Q13191 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL20828341 0.80 DGAT1 (0.48) DGAT1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20828446 0.79 MEN1 (0.44) MAPTSMN1; SMN2NPC1RAB9AROCK2
SCHEMBL20828420 0.79 DGAT1 (0.47) DGAT1MAPTLMNASMN1; SMN2NPC1
SCHEMBL20828365 0.78 DGAT1 (0.47) DGAT1ROCK2CYP3A4CYP2C19
SCHEMBL20828417 0.77 ROCK2 (0.46) DGAT1MAPTNPC1RAB9AROCK2
SCHEMBL20828481 0.75 FFAR1 (0.45) DGAT1RAB9ACETPROCK2
SCHEMBL20828418 0.75 DGAT1 (0.44) DGAT1ROCK2
SCHEMBL20828401 0.74 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1TDP1
SCHEMBL20828421 0.73 SCD (0.43) DGAT1MAPTLMNASMN1; SMN2ROCK2
SCHEMBL30234297 0.70 SIRT2 (0.37) MAPTLMNASMN1; SMN2CETPALDH1A1

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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