SCHEMBL22766827

SCHEMBL22766827

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C4Nc6ccccc6N54)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 5/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GLA P06280 1/20 0.34
▸ XDH P47989 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21419580 0.86 ALDH1A1 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12545483 0.81 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17014574 0.75 IDO1 (0.43) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL25651318 0.72 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25921216 0.72 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25946799 0.72 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18892314 0.72 KDM4E (0.39) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL22814613 0.70 PDK2 (0.34) MAOB
SCHEMBL20407140 0.70 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25946801 0.70 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD

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-20200388767-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 — — US disclosed
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