SCHEMBL29074768

SCHEMBL29074768

C=CC(=O)Nc1ccc(NC2CCCCC2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ MMP13 P45452 1/20 0.41
▸ KCNJ6 P48051 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL29074757 0.81 ATM (0.43) MAPTKDM4EATMEGFRMMP13
SCHEMBL29074758 0.81 NPC1 (0.55) MAPTTHRBHPGDKDM4ERXFP1
SCHEMBL20766317 0.78 MAPT (0.46) MAPTTHRBHPGDKDM4ERXFP1
SCHEMBL20779754 0.77 NPC1 (0.40) MAPTTHRBHPGDKDM4ERXFP1
SCHEMBL20779657 0.76 MAOA (0.44) MAPTTHRBHPGDKDM4ERXFP1
SCHEMBL25314530 0.76 EGFR (0.52) MAPTEGFRLMNAMEN1KMT2A
SCHEMBL25312624 0.71 EGFR (0.53) MAPTHPGDKDM4EEGFRKMT2A
SCHEMBL25311938 0.71 EGFR (0.50) KDM4EATMEGFR
SCHEMBL31097853 0.71 EGFR (0.50) KDM4EATMEGFR
SCHEMBL31097790 0.71 EGFR (0.53) MAPTHPGDKDM4EEGFRKMT2A

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
Send feedback