SCHEMBL30933589

SCHEMBL30933589

O=C(O)c1ccncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 14/20 0.59
KDM6B O15054 6/20 0.59
KDM4D Q6B0I6 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
KDM4A O75164 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
KDM5A P29375 2/20 0.46
KDM5B Q9UGL1 1/20 0.46
GAA P10253 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL116912 1.00 KDM4C (0.59) KDM4CKDM6BKDM4DALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1027775 0.98 KDM4C (0.57) KDM4CKDM6BKDM4DALDH1A1KDM4E
Nitrous Acid SCHEMBL28552198 0.92 KDM4C (0.52) KDM4CKDM6BKDM4DALDH1A1KDM4E
SCHEMBL8687513 0.88 TDP1 (0.54) KDM4CKDM6BKDM4DALDH1A1KDM4E
SCHEMBL1027774 0.83 GAA (0.45) KDM4CKDM6BKDM4DALDH1A1KDM4E
SCHEMBL7533 0.83 ROCK2 (0.58) KDM4CKDM6BKDM4DALDH1A1KDM4E
SCHEMBL29574646 0.83 ROCK2 (0.58) KDM4CKDM6BKDM4DALDH1A1KDM4E
Hydrochloric Acid SCHEMBL17143441 0.81 ROCK2 (0.56) KDM4CKDM6BKDM4DALDH1A1KDM4E
SCHEMBL826357 0.81 MKNK1 (0.58) KDM4CKDM6BKDM4DALDH1A1KDM4E
SCHEMBL1891569 0.81 ROCK2 (0.47) KDM4CKDM6BKDM4DALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
WO-2024112287-A1 BENZIMIDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BANOGLU ERDEN (TR) 2024-05-30 WO disclosed