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SCHEMBL21278733

SCHEMBL21278733

Cc1cc(-c2cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)cc2C#N)nc(C)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CSNK1D P48730 1/20 0.30
▸ CSNK1G2 P78368 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL21278734 0.95 SLC22A12 (0.31) ALDH1A1HPGD
SCHEMBL21278863 0.90 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL21279110 0.89 SLC22A12 (0.31) ALDH1A1HPGD
SCHEMBL21279161 0.86 ALDH1A1 (0.33) ALDH1A1HPGDHTTTSHRL3MBTL1
SCHEMBL21278866 0.86 KIF11 (0.41) TSHRSMN1; SMN2
SCHEMBL21279156 0.85 SETDB1 (0.32) ALDH1A1TSHR
SCHEMBL21108410 0.85 ALDH1A1 (0.34) ALDH1A1CSNK1DCSNK1G2
SCHEMBL19909532 0.85 ALDH1A1 (0.32) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL22563601 0.85 CSNK1D (0.32) ALDH1A1HPGDHTTLMNACYP1A2
SCHEMBL21279181 0.83 KIF11 (0.36) TSHRSMN1; SMN2

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-3399004-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-21 — — EP disclosed