SCHEMBL6033481

SCHEMBL6033481

[C-]#[N+]CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 7/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL31171921 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL1459603 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL4491153 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6245300 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6241582 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL31171990 1.00 TSHR (0.50) TSHRTHRBDNM1ALDH1A1LMNA
Carbon Monoxide SCHEMBL3038936 0.86 TSHR (0.35) TSHRTHRBLMNA
SCHEMBL31009030 0.85 FAAH (0.52) LMNAMEN1KMT2AHSD17B10
SCHEMBL5865687 0.83
SCHEMBL29957532 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025217071-A1 ISONITRILE INHIBITORS IN ALD LAM RESEARCH CORPORATION (US) 2025-10-16 WO disclosed
WO-2024234088-A1 SYSTEMS AND METHODS FOR AI-BASED IONIZABLE LIPID DEVELOPMENT FOR LIPID NANOPARTICLE (LNP)-BASED CARGO MOLECULE DELIVERY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-11-21 WO disclosed
US-20060177660-A1 Core-shell nanostructures and microstructures BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANIAL COLLEGE 2006-08-10 US disclosed