SCHEMBL30163333

SCHEMBL30163333

Cc1cccc(C)c1Oc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
SCN8A Q9UQD0 1/20 0.43
NOTUM Q6P988 1/20 0.43
HTT P42858 1/20 0.42
CYP2A6 P11509 1/20 0.42
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL6689466 0.82 KDM4E (0.55) LMNATDP1ALDH1A1SMN1; SMN2NOTUM
SCHEMBL9922005 0.79 LMNA (0.53) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL676142 0.79 LMNA (0.82) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL30535283 0.79 LMNA (0.82) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL4130798 0.78 LMNA (0.56) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
Potassium SCHEMBL6776357 0.77 LMNA (0.78) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL14022002 0.77 SMN1; SMN2 (0.53) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL170884 0.76 LMNA (0.75) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL779090 0.75 LMNA (0.53) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL9487846 0.74 LTA4H (0.52) SMN1; SMN2HTTLTA4HKDM4E

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-4363417-A1 PYRROLOPYRIDONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Tay Therapeutics Limited (GB) 2024-05-08 EP disclosed
WO-2023275542-A1 PYRROLOPYRIDONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Tay Therapeutics Limited (GB) 2023-01-05 WO disclosed