SCHEMBL21390639

SCHEMBL21390639

C=Cc1ccc2c3ccc(-c4cccc(-c5ccc(-c6cc(-c7nc(-c8ccncc8)nc(-c8ccccc8-c8cccc(-c9ccc%10c%11ccc(C=C)cc%11c%11ccccc%11c%10c9)c8)n7)ccn6)cc5-c5nc(-c6ccncc6)cc(-c6ccncc6)n5)c4)cc3c3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.35
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL24872506 0.85 PIK3CA (0.39) PRKDCMAPTMEN1ALDH1A1HPGD
SCHEMBL24872626 0.85 PIK3CA (0.41) PRKDCMAPTMEN1ALDH1A1HPGD
SCHEMBL21390640 0.84 KDM4E (0.36) PRKDCMAPTMEN1ALDH1A1HPGD
SCHEMBL21390341 0.83 MEN1 (0.35) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL24872645 0.82 PIK3CA (0.41) PRKDCMAPTMEN1ALDH1A1HPGD
SCHEMBL21390340 0.82 MEN1 (0.33) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL21390345 0.81 DHODH (0.39) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL21390297 0.80 ALDH1A1 (0.42) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL21390347 0.78 MAPT (0.41) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL16641430 0.78 MAPT (0.43) MAPTALDH1A1HPGDKDM4ELMNA

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