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SCHEMBL18828487

SCHEMBL18828487

C1=CC(c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c(-c5ccccc5-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)n2)=CCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ NTSR1 P30989 1/20 0.33
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL16281215 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15297932 0.82 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27426501 0.81 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20404887 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL26360651 0.79 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20407245 0.79 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27427392 0.79 ADORA3 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL25619718 0.78 BRD4 (0.31) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27426540 0.78 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20611415 0.78 HPGD (0.40) MEN1KMT2AALDH1A1MAPTHPGD

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
EP-2651862-B1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed