SCHEMBL23739890

SCHEMBL23739890

CNC(=O)C(CCC=O)N1Cc2c(OCCCBr)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 3/20 0.34
▸ THRB P10828 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL23739521 0.95 POLB (0.35) POLBALDH1A1LMNATHRBGAA
SCHEMBL23739667 0.93 POLB (0.35) POLBALDH1A1LMNATHRBGAA
SCHEMBL24572202 0.91 POLB (0.35) POLBALDH1A1LMNATHRBGAA
SCHEMBL23739899 0.90 POLB (0.34) POLBALDH1A1LMNATHRBGAA
SCHEMBL23934426 0.87 POLB (0.34) POLBALDH1A1LMNATHRBGAA
SCHEMBL23739881 0.86 S1PR5 (0.30) —
SCHEMBL23739656 0.84 IDO1 (0.38) POLBALDH1A1LMNATHRBGAA
SCHEMBL21658797 0.84 MAPT (0.40) POLBALDH1A1LMNATHRBMAPT
SCHEMBL19310260 0.84 POLB (0.48) POLBALDH1A1LMNATHRBMAPT
SCHEMBL23739877 0.82 MAPT (0.38) POLBALDH1A1LMNATHRBGAA

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-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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