SCHEMBL22001748

SCHEMBL22001748

O=Cc1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HTT P42858 6/20 0.49
▸ SOS1 Q07889 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 2/20 0.35

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
SCHEMBL22001366 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTSOS1KMT2A
SCHEMBL22001367 0.85 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL22001371 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTSOS1KMT2A
SCHEMBL21042787 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTSOS1KMT2A
SCHEMBL21043049 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL19997556 0.79 RPS6KB1 (0.42) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL21042783 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL21043468 0.76 CCR1 (0.31) —
SCHEMBL21042583 0.75 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HTTKMT2ALMNA
SCHEMBL22001173 0.75 BRD4 (0.44) ALDH1A1SMN1; SMN2HTTKMT2AMEN1

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-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
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