SCHEMBL24549321

SCHEMBL24549321

CC(C)c1nc2c([nH]1)CCCCCC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24549208 1.00 HRH4 (0.37) HRH4SMPD3TSHRKDM4ELMNA
SCHEMBL24549027 1.00 HRH4 (0.37) HRH4SMPD3TSHRKDM4ELMNA
SCHEMBL15932002 0.98 HRH4 (0.38) HRH4SMPD3KDM4ELMNAHSD17B10
SCHEMBL2706590 0.94 HRH4 (0.35) HRH4SMPD3KDM4ELMNAHSD17B10
SCHEMBL24486070 0.76 MEN1 (0.33) HRH4SMPD3TSHR
SCHEMBL18238079 0.73 PDCD1 (0.40) KDM4E
SCHEMBL18238080 0.73 TAAR1 (0.31)
SCHEMBL24549487 0.73
SCHEMBL17128162 0.72 HAVCR2 (0.47) HRH4SMPD3TSHRKDM4E
SCHEMBL10281378 0.72 HAVCR2 (0.47) HRH4SMPD3TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133098-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-06-23 WO disclosed