SCHEMBL27310366

SCHEMBL27310366

CN(C)c1ccc2c(-c3ccc(C[C@H](N)C(=O)O)cc3)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ THRB P10828 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ P2RY6 Q15077 1/20 0.49
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ABCB1 P08183 2/20 0.41
▸ ITPR1 Q14643 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ HTR3A P46098 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
SCHEMBL27308920 0.82 MEN1 (0.58) MEN1KMT2ATDP1BLMTHRB
SCHEMBL574910 0.81 MEN1 (0.74) MEN1KMT2ATDP1BLMTHRB
Bromide SCHEMBL30740862 0.81 MEN1 (0.72) MEN1KMT2ATDP1BLMTHRB
Hydrochloric Acid SCHEMBL29371579 0.81 MEN1 (0.72) MEN1KMT2ATDP1BLMTHRB
SCHEMBL14840738 0.80 MEN1 (0.68) MEN1KMT2ATDP1BLMTHRB
Hydrochloric Acid SCHEMBL16295013 0.79 MEN1 (0.98) MEN1KMT2ATDP1BLMTHRB
SCHEMBL14852996 0.78 MEN1 (0.68) MEN1KMT2ATDP1BLMTHRB
SCHEMBL14840850 0.78 MEN1 (0.64) MEN1KMT2ATDP1BLMTHRB
SCHEMBL17124185 0.77 MEN1 (0.72) MEN1KMT2ATDP1BLMTHRB
SCHEMBL13524213 0.76 MEN1 (0.75) MEN1KMT2ATDP1BLMTHRB

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-2024073568-A2 EVOLUTION OF FLUOROGENIC SENSORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-04 — — WO disclosed
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