SCHEMBL20404902

SCHEMBL20404902

N=C(N)c1ccc(-c2ccc3c4cccc5c6ccccc6n(c3c2)c54)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.47
▸ PRSS1 P07477 4/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ NQO2 P16083 3/20 0.41
▸ F2 P00734 4/20 0.38
▸ F10 P00742 4/20 0.38
▸ PLAU P00749 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL20405051 0.88 F2 (0.42) WDR5PRSS1PRSS2PRSS3F2
SCHEMBL20404872 0.84 PRSS1 (0.34) WDR5PRSS1PRSS2PRSS3KDM4E
SCHEMBL23823577 0.83 POLB (0.44) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL17994986 0.81 POLB (0.40) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL17994985 0.79 POLB (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL25459755 0.79 POLB (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23823559 0.79 KDM4E (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL19541151 0.79 RXRA (0.42) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL25459798 0.78 TSPO (0.43) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL24841125 0.78 TSPO (0.43) KDM4EMEN1ALDH1A1POLBMAPT

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
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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