SCHEMBL21478058

SCHEMBL21478058

c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
NTSR1 P30989 1/20 0.39
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
PDK2 Q15119 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
CYP2C19 P33261 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL19299304 0.99 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL19299374 0.99 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL19299027 0.99 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL21677631 0.95 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20618879 0.95 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL21478041 0.95 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL19298752 0.94 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20619284 0.94 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL21677630 0.94 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20622575 0.94 MEN1 (0.43) MAPTMEN1KMT2AALDH1A1HPGD

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
WO-2019199068-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-17 WO disclosed