Sugi Predict

Sugi Predict / Compounds / SCHEMBL24835211

SCHEMBL24835211

SCHEMBL24835211

COc1cccc(F)c1/C(=N/I)N1CCN(c2ncc(C(C)=O)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.47
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39

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
SCHEMBL23283045 0.85 P2RY12 (0.47) P2RY12SLC2A1
SCHEMBL23733258 0.79 P2RY12 (0.49) P2RY12SLC2A1
SCHEMBL26814990 0.78 P2RY12 (0.44) P2RY12MAPTHPGDHTTSMN1; SMN2
SCHEMBL25844260 0.74 RBP4 (0.48) HPGD
SCHEMBL23074502 0.71 MAPK1 (0.48) P2RY12SMN1; SMN2SLC2A1
SCHEMBL30778002 0.70 RORC (0.42) P2RY12MAPTHPGDHTTSMN1; SMN2
SCHEMBL23064356 0.70 RORC (0.42) P2RY12MAPTHPGDHTTSMN1; SMN2
SCHEMBL23064353 0.70 RORC (0.42) P2RY12MAPTHPGDHTTSMN1; SMN2
SCHEMBL2417915 0.67 MEN1 (0.52) P2RY12MAPTHPGDHTTSMN1; SMN2
SCHEMBL23064339 0.67 P2RY12 (0.48) P2RY12SMN1; SMN2

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
WO-2023276828-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR 国立大学法人大阪大学 2023-01-05 — — WO disclosed