SCHEMBL21390345

SCHEMBL21390345

C=Cc1ccc2c3ccc(-c4nc(-c5ccncc5)cc(-c5ccncc5)n4)cc3c3ccccc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTSR1 P30989 1/20 0.36
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHEK1 O14757 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSK3B P49841 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
SCHEMBL21390347 0.92 MAPT (0.41) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL21390520 0.90 MEN1 (0.45) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL21390348 0.89 DHODH (0.39) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL19172254 0.87 DHODH (0.48) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL19172085 0.85 DHODH (0.50) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL19173085 0.85 DHODH (0.50) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL19172216 0.84 KMT2A (0.50) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL19167129 0.83 DHODH (0.51) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL19171554 0.83 DHODH (0.51) DHODHMAPTALDH1A1HPGDKDM4E
SCHEMBL21390337 0.83 MEN1 (0.44) DHODHMAPTALDH1A1HPGDKDM4E

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed