SCHEMBL19257503

SCHEMBL19257503

Clc1cc(-c2nc(-c3ccccc3)nc3ccccc23)c2oc3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PDE5A O76074 6/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ NR1I3 Q14994 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TSHR P16473 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
SCHEMBL22117515 0.86 AHR (0.44) MEN1KMT2APDE5AABCG2NPC1
SCHEMBL22136027 0.85 AHR (0.43) MEN1KMT2APDE5AABCG2NPC1
SCHEMBL22136300 0.84 MAPT (0.42) MEN1KMT2APDE5AABCG2NPC1
SCHEMBL17232204 0.83 KMT2A (0.48) MEN1KMT2AATMPDE5AABCG2
SCHEMBL22136025 0.82 ALOX5 (0.42) MEN1KMT2APDE5AABCG2HTT
SCHEMBL22136316 0.81 ALDH1A1 (0.41) MEN1KMT2AMAPK1AHRMAPT
SCHEMBL29993340 0.80 AHR (0.51) MEN1KMT2AABCG2NPC1RAB9A
SCHEMBL22884595 0.80 AHR (0.51) MEN1KMT2AABCG2NPC1RAB9A
SCHEMBL22697691 0.80 KMT2A (0.47) MEN1KMT2AATMPDE5AABCG2
SCHEMBL25050769 0.79 ALOX5 (0.39) MEN1KMT2APDE5AABCG2AHR

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
WO-2017146406-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-08-31 — — WO disclosed
WO-2017135717-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2017-08-10 — — WO disclosed
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