SCHEMBL20404872

SCHEMBL20404872

N=C(N)c1c(-c2ccc(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)c2ccccc2c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ F9 P00740 2/20 0.32
▸ WDR5 P61964 1/20 0.30

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
SCHEMBL20404902 0.84 WDR5 (0.47) PRSS1PRSS2PRSS3KDM4EMEN1
SCHEMBL20404889 0.84 PRSS1 (0.33) PRSS1PRSS2PRSS3RXRARXRB
SCHEMBL20406992 0.81 PRSS1 (0.40) PRSS1PRSS2PRSS3KDM4EHPGD
SCHEMBL17994986 0.79 POLB (0.40) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23823577 0.79 POLB (0.44) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL17994985 0.78 POLB (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20405051 0.76 F2 (0.42) PRSS1PRSS2PRSS3KDM4EMEN1
SCHEMBL17994981 0.75 KDM4E (0.39) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL25459755 0.75 POLB (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL23823559 0.75 KDM4E (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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