SCHEMBL27160506

SCHEMBL27160506

[N-]=[N+]=N[C@@H]1CN(C(=O)O)C[C@H]1OCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ S1PR1 P21453 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ NAAA Q02083 1/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ ATXN2 Q99700 3/20 0.34
▸ LIPG Q9Y5X9 2/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ LPL P06858 1/20 0.32
▸ LIPC P11150 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ TEAD1 P28347 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL29962537 0.88 GPR119 (0.37) IDO1ENPP2ATXN2
SCHEMBL27160520 0.85 TEAD1 (0.43) NAAALIPGTEAD1
SCHEMBL27160732 0.81 IDO1 (0.46) IDO1S1PR1PRKXIKBKES1PR5
SCHEMBL19411886 0.80 IDO1 (0.48) IDO1S1PR1PRKXIKBKES1PR5
SCHEMBL21723019 0.74 IDO1 (0.44) IDO1S1PR1PRKXIKBKES1PR5
SCHEMBL27160413 0.74 TEAD1 (0.50) IDO1S1PR1PRKXIKBKES1PR5
SCHEMBL27160701 0.73 ALDH1A1 (0.33) FFAR1
SCHEMBL27160362 0.72 TEAD1 (0.41) TEAD1
SCHEMBL14668509 0.72 TEAD1 (0.41) TEAD1
SCHEMBL27160533 0.72 TEAD1 (0.41) TEAD1

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
EP-4330253-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATED DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-03-06 — — EP disclosed
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