SCHEMBL23616897

SCHEMBL23616897

Bc1cc(C(=O)Nc2ccccc2CC(=O)OCC)cc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CFD P00746 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ DHPS P49366 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CFTR P13569 1/20 0.37
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL21439726 0.88 PKM (0.43) PKMMAPTTP53CFDKMT2A
SCHEMBL21439731 0.81 CFD (0.47) PKMMAPTTP53CFDKMT2A
SCHEMBL21439681 0.80 CFD (0.59) CFDSUCNR1
SCHEMBL24200062 0.80 CFD (0.44) PKMMAPTTP53CFDKMT2A
SCHEMBL21439756 0.79 CFD (0.43) PKMMAPTTP53CFDKMT2A
SCHEMBL21455127 0.76 SUCNR1 (0.38) PKMMAPTTP53CFDPOLB
SCHEMBL21439704 0.75 PKM (0.45) PKMMAPTTP53CFDKMT2A
SCHEMBL21439744 0.74 TSHR (0.42) PKMMAPTTP53CFDKMT2A
SCHEMBL15183755 0.74 KDM4E (0.54) MAPTTP53KMT2AATMPOLB
SCHEMBL21439761 0.73 CFD (0.49) PKMMAPTTP53CFDKMT2A

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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