SCHEMBL25405258

SCHEMBL25405258

COc1ccnc(NC(=O)Nc2ccncc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
TP53 P04637 3/20 0.65
POLB P06746 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 4/20 0.61
RAF1 P04049 1/20 0.59
LMNA P02545 2/20 0.56
TYK2 P29597 2/20 0.54
MDM2 Q00987 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
JAK2 O60674 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RIOK2 Q9BVS4 2/20 0.50

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
SCHEMBL25404170 0.89 TP53 (0.64) ALDH1A1TP53POLBKDM4EMAPT
SCHEMBL25407042 0.89 TP53 (0.65) ALDH1A1TP53POLBKDM4EMAPT
SCHEMBL25403054 0.85 TP53 (0.62) TP53POLBKDM4EMAPTRAF1
SCHEMBL25406341 0.84 KDM4E (0.67) ALDH1A1TP53POLBKDM4EMAPT
SCHEMBL25402398 0.81 F2 (0.59) ALDH1A1TP53MAPTLMNAMEN1
SCHEMBL25405780 0.80 MEN1 (0.65) ALDH1A1TP53POLBMAPTLMNA
SCHEMBL5638178 0.80 SMN1; SMN2 (0.79) ALDH1A1TP53POLBKDM4EMAPT
SCHEMBL25404462 0.79 CHEK1 (0.56) TP53POLBKDM4EMAPTTYK2
SCHEMBL25189182 0.79 RIOK2 (0.60) ALDH1A1TP53KDM4EMAPTSMN1; SMN2
SCHEMBL3932265 0.79 RIOK2 (0.57) ALDH1A1TP53SMN1; SMN2RIOK2

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-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO claimed
WO-2023176554-A1 COGNITIVE-FUNCTION-IMPROVING AGENT 国立大学法人東北大学 2023-09-21 WO disclosed