SCHEMBL31465664

SCHEMBL31465664

C/C(=N\n1c(C)cc2ccccc21)C(=O)Nn1c(C)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TP53 P04637 4/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ TSHR P16473 4/20 0.37
▸ MEN1 O00255 8/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ MAPT P10636 5/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL31465676 0.85 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL31465692 0.75 MAPT (0.48) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL3976234 0.75 TP53 (0.42) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL31465674 0.75 MAPT (0.45) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL31465662 0.73 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL6482423 0.72 TSHR (0.59) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL31465677 0.72 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL31465699 0.72 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDTP53
SCHEMBL6480068 0.70 MEN1 (0.60) KDM4EALDH1A1HSD17B10TP53SLC6A2
SCHEMBL6480184 0.70 MEN1 (0.57) KDM4EALDH1A1HSD17B10HPGDTP53

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-2025056724-A1 IMINOAMIDE-TYPE COMPOUNDS AS LIGANDS FOR COPPER-CATALYZED COUPLING REACTIONS OF (HETERO)ARYL HALIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-03-20 — — WO disclosed
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