SCHEMBL24401088

SCHEMBL24401088

COc1ccc(N(Cc2cnc(Oc3ccc(C(F)(F)F)nc3)nc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.40
SCN10A Q9Y5Y9 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
LIPE Q05469 1/20 0.37
RNF4 P78317 1/20 0.36
HDAC1 Q13547 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
SCHEMBL24401097 0.79 BCL2A1 (0.46) RNF4MEN1KMT2ADRD2DRD3
SCHEMBL2113412 0.72 KCNH2 (0.37) SCN9AHDAC1HDAC8HDAC6MRGPRX4
SCHEMBL14809012 0.71 BCL2A1 (0.48) RNF4MEN1KMT2ABCL2A1
SCHEMBL14809010 0.71 BCL2A1 (0.48) RNF4MEN1KMT2ABCL2A1
SCHEMBL2599941 0.69 NR1H4 (0.37) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3225600 0.68 L3MBTL1 (0.39) RNF4HDAC6MEN1KMT2AMLYCD
SCHEMBL2110880 0.68 KCNH2 (0.39) HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL1888092 0.68 MLYCD (0.40) MLYCDBCL2A1
SCHEMBL24401094 0.68 LOXL2 (0.41) SCN9ASCN10AMRGPRX4PLAAT3PLAAT5
SCHEMBL19513028 0.68 AGXT (0.40) MEN1KMT2ADRD3

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-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 WO disclosed