SCHEMBL24749740

SCHEMBL24749740

COc1ccc(Oc2cccc(C#N)c2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
APP P05067 1/20 0.42
EPAS1 Q99814 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAP4K4 O95819 1/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
VEGFA P15692 1/20 0.40

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
SCHEMBL31694899 1.00 AR (0.55) ARALDH1A1MAPTMEN1THRB
SCHEMBL20982676 0.83 NR4A1 (0.59) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL31176814 0.83 NR4A1 (0.59) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL18641303 0.81 LTA4H (0.53) ARALDH1A1MAPTMEN1KMT2A
SCHEMBL15938210 0.80 ALDH1A1 (0.76) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL3045451 0.79 ALDH1A1 (0.63) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL921247 0.79 SMN1; SMN2 (0.53) ARSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL1638118 0.79 ALDH1A1 (0.53) ARALDH1A1MAPTMEN1THRB
SCHEMBL30872985 0.79 ALDH1A1 (0.53) ARALDH1A1MAPTMEN1THRB
SCHEMBL16792406 0.79 PPARG (0.48) ARALDH1A1MAPTMEN1KMT2A

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed