SCHEMBL30858950

SCHEMBL30858950

COc1c(C)nc(C(F)F)c(C(=O)O)c1-c1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
CDC7 O00311 3/20 0.33
DBF4 Q9UBU7 3/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32

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
SCHEMBL29694648 0.84 GAA (0.42) IKBKBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL30017890 0.81 ALDH1A1 (0.42) IKBKBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL29695147 0.79 FABP3 (0.42) IKBKBKDM4EALDH1A1HSD17B10CDC7
SCHEMBL9870560 0.78 GCGR (0.50) DHODHSMN1; SMN2FABP3FABP4FABP5
SCHEMBL29694812 0.77 FABP4 (0.42) IKBKBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL30640108 0.75 CDC7 (0.45) IKBKBKDM4EALDH1A1CDC7DBF4
SCHEMBL29261594 0.72 ALDH1A1 (0.39) IKBKBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL30640071 0.72 KDM4E (0.43) KDM4EALDH1A1HSD17B10CYP46A1MEN1
SCHEMBL29108354 0.72 KDM4E (0.43) KDM4EALDH1A1HSD17B10CYP46A1MEN1
SCHEMBL30640218 0.69 SMN1; SMN2 (0.53) KDM4EALDH1A1MEN1KMT2ACDC7

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-4585599-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-07-16 EP disclosed
CN-117946138-A And ring nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2024-04-30 CN disclosed