SCHEMBL24144386

SCHEMBL24144386

NCCc1cn(Cc2cccc(Cl)c2)c2cc(-c3ccncc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HTR6 P50406 2/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ NR1D1 P20393 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MET P08581 1/20 0.40
▸ KDR P35968 2/20 0.40

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
SCHEMBL24144070 0.90 HTR6 (0.54) HTR6NR1D1HRH1EGFRKDR
SCHEMBL24144290 0.87 HTR6 (0.41) HTR6NR1D1HRH1EGFRKDR
SCHEMBL24144502 0.87 CYP19A1 (0.47) LMNAALDH1A1HTR6MKNK1MKNK2
SCHEMBL24144383 0.87 CYP19A1 (0.49) HTR6NR1D1TAAR1HRH1EGFR
SCHEMBL24143555 0.85 ROCK2 (0.46) HTR6MAOBNR1D1TAAR1KMT2A
SCHEMBL24144381 0.85 ICMT (0.50) HTR6MKNK1MKNK2MAOBNR1D1
SCHEMBL24143551 0.85 NR1D1 (0.41) HTR6MKNK1MKNK2NR1D1HRH1
SCHEMBL24143548 0.84 NFATC1 (0.50) LMNAALDH1A1HTR6MAOBNR1D1
SCHEMBL13621791 0.81 ALDH1A1 (0.66) LMNAALDH1A1HTR6SMN1; SMN2TAAR1
SCHEMBL2085631 0.81 YES1 (0.46) LMNAALDH1A1HTR6SMN1; SMN2HRH1

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-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — WO disclosed
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