SCHEMBL30863487

SCHEMBL30863487

COC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ CASP3 P42574 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40

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
Lithium Ion SCHEMBL30863538 0.86 CYP2D6 (0.39) CYP2D6KMT2APKMCNR2
SCHEMBL30863472 0.74 ABCB1 (0.45) KMT2AALDH1A1SMN1; SMN2POLBPKM
SCHEMBL383205 0.70 MAPT (0.57) MAPTKMT2ATUBB4ATUBBTUBA3C
SCHEMBL12643734 0.70 MAPT (0.72) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL38659323 0.69 MAPT (0.60) MAPTKMT2ATUBB4ATUBBTUBA3C
SCHEMBL6887543 0.69 KDM4E (0.44) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL6597425 0.69 ALDH1A1 (0.56) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL6273824 0.69 NPC1 (0.52) MAPTKMT2ACASP3TUBB4ATUBB
SCHEMBL16302065 0.68 HDAC6 (0.46) KMT2AKDM4EALOX15LMNA
SCHEMBL15832592 0.68 HDAC6 (0.46) KMT2AKDM4EALOX15LMNA

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-4581017-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS Biodol Therapeutics (FR) 2025-07-09 — — EP disclosed
WO-2024079072-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS BIODOL THERAPEUTICS (FR) 2024-04-18 — — WO disclosed
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