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SCHEMBL19909194

SCHEMBL19909194

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C)nc(C)c9)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14cc(-c%15ccccc%15)nc(-c%15ccccc%15)c%14)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)c%13C#N)cc%12C)c%11)cc%109)c8C#N)c7c6)ccc5C)ccc43)c2C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ MAPT P10636 1/20 0.32
▸ KDM4A O75164 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL22562578 0.93 ADORA1 (0.38) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL22563498 0.92 ADORA2A (0.37) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL21278836 0.90 ADORA2A (0.35) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19908980 0.89 ADORA2A (0.33) ADORA2AADORA1KDM4AKDM5B
SCHEMBL21414278 0.87 ADORA2A (0.30) ADORA2AADORA1
SCHEMBL21546849 0.87 ELANE (0.31) ADORA2AADORA1KDM4EHPGDALDH1A1
SCHEMBL19919656 0.86 ADORA2A (0.38) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19942682 0.86 ADORA2A (0.33) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL22170404 0.85 ADORA1 (0.40) ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19909179 0.85 SQOR (0.37) ADORA2AADORA1KDM4EHPGDPPARG

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-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 — — EP disclosed