SCHEMBL22259781

SCHEMBL22259781

C=C1CC(C(C)(C)C)Cc2c1nc(CC)c1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ SLC2A1 P11166 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
SCHEMBL22259734 0.82 SMN1; SMN2 (0.41) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL22259790 0.68 — —
SCHEMBL22236262 0.66 TP53 (0.37) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL22236064 0.65 TP53 (0.39) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL22236100 0.62 MAPT (0.34) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL13444589 0.60 ACHE (0.46) MEN1MAPTMAPK1KMT2AHPGD
SCHEMBL24357492 0.58 MAPT (0.60) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL12533981 0.57 KMT2A (0.64) MEN1MAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL22016467 0.56 POLB (0.37) MAPK1KMT2ASMN1; SMN2HPGD
SCHEMBL19393174 0.56 IDO1 (0.41) MEN1MAPTMAPK1KMT2ASMN1; SMN2

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-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 — — WO disclosed
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