SCHEMBL29354525

SCHEMBL29354525

CN(C)C(n1nnc2ncccc21)=[N+](C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44
▸ TUBB3 Q13509 2/20 0.44
▸ TUBB2A Q13885 2/20 0.44
▸ TUBB8 Q3ZCM7 2/20 0.44
▸ TUBA3E Q6PEY2 2/20 0.44
▸ TUBA1A Q71U36 2/20 0.44
▸ TUBA1C Q9BQE3 2/20 0.44
▸ TUBB6 Q9BUF5 2/20 0.44
▸ TUBB2B Q9BVA1 2/20 0.44
▸ TUBB1 Q9H4B7 2/20 0.44
▸ ASAH1 Q13510 2/20 0.44
▸ MGLL Q99685 2/20 0.41
▸ PDE2A O00408 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL1277493 1.00 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29369659 0.95 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20591983 0.95 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29803806 0.95 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6896839 0.85 ASAH1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6372854 0.83 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20897341 0.82 ASAH1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29602867 0.82 ASAH1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL425013 0.79 ASAH1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3893181 0.77 DGAT1 (0.57) DGAT1KMT2AKDM4EALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600811-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-15 — — CN disclosed
CN-116568304-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-08 — — CN disclosed
WO-2023106897-A1 NOVEL PEPTIDE DERIVATIVE DERIVED FROM ADIPONECTIN AND USE THEREOF 서울대학교병원 2023-06-15 — — WO disclosed
EP-4136102-A1 LONG ACTING PEPTIDE TYROSINE TYROSINE (PYY) ANALOGS AND METHODS OF USE I2O Therapeutics, Inc. (US) 2023-02-22 — — EP disclosed
CN-109790162-B Covalent inhibitors of PAD4 帕德罗科治疗公司 2022-06-28 — — CN disclosed
CN-114380799-A COT modulators and methods of use thereof 吉利德科学公司 2022-04-22 — — CN disclosed
EP-3946363-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2022-02-09 — — EP disclosed
CN-109879859-B COT modulators and methods of use thereof 吉利德科学公司 2022-01-25 — — CN disclosed
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