SCHEMBL23934416

SCHEMBL23934416

C=C(NC)C(CCC=O)N1Cc2c(OC/C(N)=C/N(N)CCc3ccccc3)cccc2C1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.31
▸ ALDH1A1 P00352 3/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MEN1 O00255 3/20 0.30
▸ KMT2A Q03164 3/20 0.30
▸ SMN1; SMN2 Q16637 3/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL23934597 0.87 SMN1; SMN2 (0.33) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23934328 0.87 THRB (0.34) THRBALDH1A1LMNAMEN1KMT2A
SCHEMBL23934688 0.85 — —
SCHEMBL23934731 0.81 — —
SCHEMBL23934693 0.80 THRB (0.33) THRBALDH1A1LMNAMEN1KMT2A
SCHEMBL23934344 0.80 THRB (0.38) THRBALDH1A1LMNAMEN1KMT2A
SCHEMBL23934587 0.79 KMT2A (0.39) THRBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL23934703 0.79 THRB (0.35) THRBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23934714 0.76 ADRB2 (0.36) —
SCHEMBL23934712 0.73 NR1H2 (0.32) —

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-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 — — EP disclosed
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