SCHEMBL22236100

SCHEMBL22236100

COc1nc2c(c3ccccc13)CC(C(C)(C)C)C/C2=N/Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP1A2 P05177 4/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ VSIR Q9H7M9 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ STAT6 P42226 1/20 0.30
▸ BLM P54132 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
SCHEMBL22236101 1.00 MAPT (0.34) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL22236262 0.77 TP53 (0.37) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL21358511 0.70 CYP2B6 (0.37) —
SCHEMBL21358513 0.70 CYP2B6 (0.37) —
SCHEMBL24357725 0.70 DRD2 (0.35) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL22259795 0.68 MAPT (0.57) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL21358191 0.67 CYP2B6 (0.34) —
SCHEMBL21358192 0.67 CYP2B6 (0.34) —
SCHEMBL22259781 0.62 MEN1 (0.36) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL22259734 0.60 SMN1; SMN2 (0.41) MAPTMAPK1KMT2ASMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 — — EP disclosed
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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