SCHEMBL29824525

SCHEMBL29824525

CNS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ VCAM1 P19320 1/20 0.47
▸ ALDH3A1 P30838 4/20 0.47
▸ MAPT P10636 3/20 0.46
▸ EPAS1 Q99814 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ IDH2 P48735 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ AR P10275 1/20 0.43
▸ ESR2 Q92731 1/20 0.43

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
SCHEMBL25782081 1.00 PTPN1 (0.49) PTPN1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL13881915 0.83 LMNA (0.55) LMNASMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23592047 0.83 L3MBTL1 (0.55) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29824728 0.83 L3MBTL1 (0.55) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22718133 0.83 EPAS1 (0.50) ALDH1A1MEN1KMT2AMAPTEPAS1
SCHEMBL22718149 0.81 IDH2 (0.46) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22747361 0.80 SCN9A (0.54) —
SCHEMBL22718161 0.80 IDH2 (0.50) MEN1POLBKMT2AMAPTEPAS1
SCHEMBL29602571 0.80 IDH2 (0.50) MEN1POLBKMT2AMAPTEPAS1
SCHEMBL22747371 0.79 IDH2 (0.47) MAPTEPAS1CYP2C9IDH2NR3C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081202-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-11-02 — — EP disclosed
CN-115103670-A Transcription Enhancement Associated Domain (TEAD) transcription factor inhibitors and uses thereof 达纳-法伯癌症研究所股份有限公司 2022-09-23 — — CN disclosed
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