SCHEMBL23931104

SCHEMBL23931104

COC(=O)c1[nH]cnc1CCl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
GABRR1 P24046 1/20 0.39
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
XDH P47989 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2393641 0.86 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2LMNAGABRR1
SCHEMBL23930844 0.83 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2LMNAGABRR1
SCHEMBL25244034 0.83 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2LMNAGABRR1
Bromide SCHEMBL9551281 0.79 HRH2 (0.49) KDM4EALDH1A1SMN1; SMN2LMNAGABRR1
SCHEMBL23930811 0.78 GABRR1 (0.43) KDM4EALDH1A1SMN1; SMN2LMNAGABRR1
SCHEMBL3033479 0.77 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1081091 0.74 LMNA (0.54) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4605287 0.74 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL20534029 0.73 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9708864 0.73 GDA (0.60) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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
EP-4139299-A1 KRAS G12D PROTEIN INHIBITORS Taiho Pharmaceutical Co., Ltd. (JP) 2023-03-01 EP disclosed
WO-2021215544-A1 KRAS G12D PROTEIN INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed