SCHEMBL31589618

SCHEMBL31589618

COc1ccc(C(=O)NNC(=O)CCl)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALPL P05186 1/20 0.43
ALDH1A1 P00352 4/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
AGTR1 P30556 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CDK5 Q00535 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL31589777 0.79 APLNR (0.51) KDM4EMAPTMEN1KMT2AALPL
SCHEMBL31589339 0.77 NNMT (0.65) NNMTKDM4EMAPTMEN1KMT2A
SCHEMBL31589389 0.75 SMN1; SMN2 (0.44) ALPLALDH1A1HTTLMNAL3MBTL1
SCHEMBL15004552 0.75 NNMT (0.61) NNMTMAPTHTTSMN1; SMN2HPGD
SCHEMBL21467388 0.75 NNMT (0.53) NNMTKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19198279 0.74 NNMT (0.56) NNMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL18896202 0.72 NNMT (0.58) NNMTKDM4EALDH1A1HTTL3MBTL1
SCHEMBL1544504 0.71 NNMT (0.66) NNMTKDM4EALDH1A1L3MBTL1
SCHEMBL6770004 0.70 LMNA (0.73) KDM4EMAPTKMT2AALDH1A1HTT
SCHEMBL10042096 0.70 KDM4E (0.40) KDM4EMAPTALPLALDH1A1HTT

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
WO-2025110780-A1 NOVEL HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS DNA POLYMERASE THETA INHIBITORS FOR THE PREVENTION OR TREATMENT OF CANCER DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-05-30 WO disclosed
CN-120040437-A Novel heterocyclic compound and pharmaceutical composition comprising same 株式会社大熊制药 2025-05-27 CN disclosed