SCHEMBL31237847

SCHEMBL31237847

CCSC(=O)N1c2ccc(OC)cc2C=CC1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HDAC3 O15379 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL7340898 0.79 LMNA (0.76) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL20243989 0.72 LMNA (0.43) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL9369348 0.69 LMNA (0.71) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL9365369 0.65 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4429170 0.65 LMNA (0.67) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL11803025 0.62 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL17199569 0.62 BRD4 (0.38) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL1760639 0.58 NOTUM (0.52) LMNAKMT2ANOTUMHSD17B10MTNR1A
SCHEMBL8342494 0.58 LMNA (0.75) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7527942 0.57 HDAC3 (0.63) LMNAKMT2AMEN1SMN1; SMN2HDAC3

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-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
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