SCHEMBL29074757

SCHEMBL29074757

C=CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ BRD4 O60885 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL30061300 0.85 ATM (0.57) ATMALDH1A1KDM4EMMP13NPC1
SCHEMBL21053210 0.85 ATM (0.57) ATMALDH1A1KDM4EMMP13NPC1
SCHEMBL21053119 0.83 ATM (0.47) ATMALDH1A1KDM4ENPC1RAB9A
SCHEMBL21091053 0.83 RAB9A (0.44) ATMALDH1A1KDM4EMMP13NPC1
SCHEMBL29074802 0.83 NPC1 (0.54) ATMALDH1A1KDM4EMMP13NPC1
SCHEMBL29074768 0.81 MAPT (0.44) ATMBRD4ALDH1A1KDM4EMMP13
SCHEMBL20779713 0.79 TEAD1 (0.52) ATMALDH1A1KDM4ENPC1RAB9A
SCHEMBL25791128 0.78 ATM (0.46) ATMALDH1A1KDM4EMMP13NPC1
SCHEMBL21054113 0.77 ATM (0.55) ATMALDH1A1KDM4EMMP13NPC1
SCHEMBL30061310 0.77 ATM (0.55) ATMALDH1A1KDM4EMMP13NPC1

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
CN-116761795-A Inhibitors of Transcription Enhancement Associated Domain (TEAD) and uses thereof 达纳-法伯癌症研究所股份有限公司 2023-09-15 — — CN disclosed
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