SCHEMBL8027987

SCHEMBL8027987

CCCCCCCCc1nnnc(CCCCCCCC)c1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ DHFR P00374 1/20 0.39
▸ HTR2A P28223 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ DNM1 Q05193 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3265562 0.79 MEN1 (0.39) ALDH1A1HTR2AKCNH2KDM4EMEN1
SCHEMBL440580 0.77 TYR (0.37) ALDH1A1KCNH2RAB9AMEN1KMT2A
SCHEMBL28572772 0.75 ALDH1A1 (0.35) ALDH1A1DHFRKCNH2KDM4EMEN1
SCHEMBL113502 0.74 ALDH1A1 (0.46) ALDH1A1DHFRHTR2AKCNH2KDM4E
SCHEMBL28529359 0.72 LMNA (0.37) ALDH1A1KCNH2KDM4EMEN1KMT2A
SCHEMBL27705339 0.72 ALDH1A1 (0.36) ALDH1A1KCNH2MEN1KMT2AHPGD
SCHEMBL29151924 0.72 ALDH1A1 (0.36) ALDH1A1DHFRHTR2AKCNH2KDM4E
SCHEMBL11116904 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ERAB9AMAPT
Bromide SCHEMBL25430864 0.71 ALDH1A1 (0.35) ALDH1A1DHFRHTR2AKCNH2KDM4E
SCHEMBL9626275 0.71 TYMP (0.33) ALDH1A1KCNH2MEN1KMT2ATDP1

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-0975626-A1 ENAMINE DERIVATIVES FOR USE AS ANTIOXYDANTS FOR POLYMERS Great Lakes Chemical (Europe) GmbH (CH) 2000-02-02 — — EP claimed
WO-1998047893-A1 ENAMINE DERIVATIVES FOR USE AS ANTIOXYDANTS FOR POLYMERS GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1998-10-29 — — WO claimed
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