SCHEMBL11075445

SCHEMBL11075445

CCCCCCN=NCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.57
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NAAA Q02083 1/20 0.50
DNM1 Q05193 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

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
SCHEMBL10622803 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL14478076 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL30688243 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL11075443 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL14478077 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL10622800 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL8692382 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL30583069 1.00 TSHR (0.57) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL30054741 0.97 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL14660138 0.96 TSHR (0.50) TSHRTHRBMEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 WO claimed
WO-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 WO disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
EP-4118069-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM Pharma SA (CH) 2023-01-18 EP disclosed
US-4450303-A IN PRESENCE OF OXYGEN AND SAMARIN SALT PHILLIPS PETROLEUM COMPANY (US) 1984-05-22 US disclosed
US-4282383-A FREE RADICAL CATALYST; TERTIARY-BUTYL, CUMENE OR P-DIISOPROPYLBENZENE HYDROPEROXIDE THE UPJOHN COMPANY (US) 1981-08-04 US disclosed