SCHEMBL30506259

SCHEMBL30506259

COc1ccc(CN2CC(C(=O)N3CCC(c4nc(-c5ccc6c(C)nn(C)c6c5)no4)CC3)CC2=O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBA3E Q6PEY2 2/20 0.41
▸ TUBA1A Q71U36 2/20 0.41
▸ TUBA1C Q9BQE3 2/20 0.41
▸ TUBB6 Q9BUF5 2/20 0.41
▸ TUBB2B Q9BVA1 2/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.41
▸ SMO Q99835 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41

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
SCHEMBL20116643 1.00 USP2 (0.44) USP2LMNAGRM5TUBB4ATUBB
SCHEMBL20116956 0.87 USP2 (0.41) USP2LMNAGRM5TUBB4ATUBB
SCHEMBL22358101 0.86 MAPT (0.51) USP2LMNAGRM5TUBB4ATUBB
SCHEMBL22357823 0.84 SMN1; SMN2 (0.41) LMNAGRM5TUBB4ATUBBTUBA3C
SCHEMBL22357966 0.83 SMN1; SMN2 (0.42) LMNAGRM5TUBB4ATUBBTUBA3C
SCHEMBL22357808 0.80 GRM5 (0.42) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22357847 0.80 GRM5 (0.42) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22358226 0.80 GRM5 (0.42) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20116106 0.80 GRM5 (0.47) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20116104 0.80 GRM5 (0.47) GRM5TUBB4ATUBBTUBA3CTUBA1B

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
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
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