SCHEMBL26296804

SCHEMBL26296804

COc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.71
KDM4E B2RXH2 7/20 0.71
LMNA P02545 6/20 0.71
HTT P42858 6/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
ALDH1A1 P00352 5/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
IDE P14735 1/20 0.67
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HPGD P15428 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 2/20 0.56
GLA P06280 1/20 0.54

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
SCHEMBL26296858 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL26290443 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL29844115 0.81 LMNA (0.58) SMN1; SMN2KDM4ELMNAHTTMAPK1
SCHEMBL4424697 0.80 LMNA (0.68) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL26295470 0.80 MEN1 (0.80) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL29844042 0.78 LMNA (0.62) SMN1; SMN2KDM4ELMNAHTTMAPK1
SCHEMBL26295759 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL4415946 0.78 LMNA (0.61) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL25072412 0.77 LMNA (0.53) SMN1; SMN2KDM4ELMNAHTTMAPK1
SCHEMBL17599746 0.77 MEN1 (0.74) SMN1; SMN2KDM4ELMNAHTTMAPK1

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-4234551-A2 PYRIDAZINONES AS PARP7 INHIBITORS Ribon Therapeutics Inc. (US) 2023-08-30 EP disclosed