SCHEMBL31120591

SCHEMBL31120591

O=C(O)CN1Cc2c(ccc(F)c2Br)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKR1B1 P15121 1/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PTGDR2 Q9Y5Y4 8/20 0.31

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
SCHEMBL30937524 0.86 ACE (0.44) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL31120568 0.82 ACE (0.40) ACEMMP13KDM4EALDH1A1MAPK1
SCHEMBL30937651 0.81 ACE (0.53) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL30937681 0.78 ACE (0.42) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL30937732 0.78 ACE (0.44) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL30937672 0.76 ACE (0.41) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL30937538 0.72 PER2 (0.45) KMT2AKDM4EMEN1ALDH1A1RAB9A
SCHEMBL30937518 0.71 DPP4 (0.38) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL30937727 0.71 ACE (0.35) ACEMMP13KMT2AKDM4EMEN1
SCHEMBL30937691 0.71 ACE (0.43) ACEMMP13KMT2AKDM4EMEN1

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-2024206347-A1 FUSED THIADIAZINE DIOXIDE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2024-10-03 — — WO disclosed
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