SCHEMBL21689802

SCHEMBL21689802

ClC1C=CC(c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.45
▸ KMT2A Q03164 10/20 0.45
▸ HPGD P15428 9/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ MAPT P10636 8/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CTRC Q99895 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
SCHEMBL18786364 0.74 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21860617 0.74 AGTR1 (0.42) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13492075 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL10051436 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725327 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13492077 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17944666 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL12306188 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL12306189 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL10051312 0.73 MEN1 (0.76) MEN1KMT2AHPGDALDH1A1MAPT

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-2020027463-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2020-02-06 — — WO disclosed
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