SCHEMBL30228204

SCHEMBL30228204

COc1ccccc1-c1cc(=O)oc2cc(NC(C)=O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ CA1 P00915 1/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MAP2K1 Q02750 1/20 0.54
▸ KCNA3 P22001 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ CCNT1 O60563 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ CCNA2 P20248 1/20 0.46

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
SCHEMBL30228174 0.88 NPC1 (0.57) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL30228274 0.84 CA12 (0.70) CA12CA9CA1NPC1RAB9A
SCHEMBL30228520 0.80 CA12 (0.65) CA12CA9KMT2AMEN1KCNA3
SCHEMBL27657088 0.78 KCNA3 (0.59) CA12CA9NPC1RAB9AKMT2A
SCHEMBL17786392 0.75 KDM4E (0.65) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL30449676 0.74 CA12 (1.00) CA12CA9CA1NPC1RAB9A
SCHEMBL8516165 0.74 CA12 (1.00) CA12CA9CA1NPC1RAB9A
SCHEMBL17786504 0.74 CYP3A4 (0.63) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL30228151 0.73 HPGD (0.73) CA12CA9CA1NPC1RAB9A
SCHEMBL30228334 0.72 RAB9A (0.60) CA12CA9CA1NPC1RAB9A

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
Send feedback