SCHEMBL5051814

SCHEMBL5051814

N=C(NCCc1ccccc1)c1cc(C(=O)O)c2c3c(ccc(C(=O)NCCc4ccccc4)c13)C(=O)NC2=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5187338 0.88 ALDH1A1 (0.41) MAPTLMNAKDM4EALDH1A1CHEK1
SCHEMBL5050546 0.83 ALOX5 (0.41) LMNAKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5056718 0.81 CHEK1 (0.43) MAPTKDM4EALDH1A1CHEK1RAB9A
SCHEMBL5053445 0.80 NPC1 (0.43) MAPTKDM4ECHEK1NPC1RAB9A
SCHEMBL5576815 0.80 TP53 (0.40) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL4582175 0.79 MEN1 (0.42) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5577030 0.77 HTT (0.36) MAPTLMNANPC1RAB9AMEN1
SCHEMBL10341193 0.76 CHEK1 (0.47) KDM4EALDH1A1CHEK1KMT2AADORA2A
SCHEMBL5185602 0.74 CASP3 (0.35) MAPTLMNAKDM4EALDH1A1CHEK1
SCHEMBL16352053 0.74 RAB9A (0.62) MAPTLMNAALDH1A1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1872416-A1 SEMICONDUCTOR MATERIALS FOR THIN FILM TRANSISTORS EASTMAN KODAK COMPANY (US) 2008-01-02 — — EP disclosed
WO-2006115714-A1 SEMICONDUCTOR MATERIALS FOR THIN FILM TRANSISTORS EASTMAN KODAK COMPANY (US) 2006-11-02 — — WO disclosed
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