SCHEMBL20764166

SCHEMBL20764166

CC(=O)Nc1ccc(NC(=O)/C=C/CN(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 2/20 0.47
▸ CCNY Q8ND76 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NR4A1 P22736 1/20 0.46
▸ PIP4K2A P48426 3/20 0.46
▸ PIP4K2B P78356 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MB P02144 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46

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
SCHEMBL16665103 0.87 NMT1 (0.58) CDK14CCNYSMN1; SMN2HTTNR4A1
SCHEMBL13067824 0.86 EGFR (0.47) CDK14CCNYSMN1; SMN2NR4A1PIP4K2A
SCHEMBL13389249 0.85 EGFR (0.55) CDK14CCNYSMN1; SMN2PIP4K2APIP4K2B
SCHEMBL16665568 0.84 PIP4K2A (0.50) CDK14CCNYNR4A1PIP4K2APIP4K2B
SCHEMBL22106124 0.84 CDK14 (0.46) CDK14CCNYSMN1; SMN2NR4A1PIP4K2A
SCHEMBL23336402 0.84 CDK14 (0.46) CDK14CCNYSMN1; SMN2NR4A1PIP4K2A
SCHEMBL17141876 0.84 PIP4K2A (0.50) CDK14CCNYNR4A1PIP4K2APIP4K2B
SCHEMBL20093336 0.83 EGFR (0.56) CDK14CCNYSMN1; SMN2L3MBTL1NR4A1
SCHEMBL18113964 0.83 KDM4E (0.49) CDK14CCNYSMN1; SMN2L3MBTL1PIP4K2A
SCHEMBL23336317 0.83 KDM4E (0.49) CDK14CCNYSMN1; SMN2L3MBTL1PIP4K2A

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-2019035866-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2019-02-21 — — WO disclosed
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