SCHEMBL22504653

SCHEMBL22504653

CNc1c(OCc2ccccc2)cc(C)c(C(O)CN)c1/C=C\C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.43
▸ CCND1 P24385 3/20 0.43
▸ CCNB2 O95067 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL19784363 0.73 CDK4 (0.48) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL30593159 0.66 HTT (0.44) TDP1ALDH1A1MCL1MAPTHPGD
SCHEMBL26601883 0.66 HTT (0.44) TDP1ALDH1A1MCL1MAPTHPGD
SCHEMBL17024332 0.65 FFAR4 (0.51) FFAR4TDP1MAPTHTTSMN1; SMN2
SCHEMBL6735911 0.65 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7265006 0.65 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7264998 0.65 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL6735912 0.65 CDK4 (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7229340 0.64 CDK4 (0.68) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL7229336 0.64 CDK4 (0.68) CDK4CCND1CCNB2CDK1CCNB1

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-2020202130-A2 IMPROVED PROCESS FOR THE PREPARATION OF INDACATEROL MALEATE NEULAND LABORATORIES LIMITED (IN) 2020-10-08 — — WO disclosed
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