SCHEMBL24190070

SCHEMBL24190070

CCCCCCCCCCCCCCCC1CCCCCCCC1CCCCN

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
DNM1 Q05193 8/20 0.52
EPHX1 P07099 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.43
DPP4 P27487 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALOX5 P09917 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
SCHEMBL25639624 0.94 SIGMAR1 (0.52) SIGMAR1DNM1EPHX1ALDH1A1MEN1
SCHEMBL11254008 0.89 CYP1A2 (0.52) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2
SCHEMBL27603789 0.89 CYP1A2 (0.52) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2
SCHEMBL22260597 0.89 SIGMAR1 (0.67) SIGMAR1DNM1EPHX1TSHR
SCHEMBL29904852 0.87 EPHX1 (0.48) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2
SCHEMBL28358906 0.87 EPHX1 (0.48) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2
SCHEMBL29904850 0.87 EPHX1 (0.48) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2
SCHEMBL23742068 0.87 SIGMAR1 (0.62) SIGMAR1DNM1MEN1KMT2ATSHR
SCHEMBL4004983 0.87 EPHX1 (0.48) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2
SCHEMBL29455101 0.87 EPHX1 (0.48) SIGMAR1EPHX1ALDH1A1TSHRCYP1A2

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
US-20220008635-A1 METHODS AND APPARATUSES USING UREA PERMSELECTIVE DIFFUSION THROUGH CHARGED MEMBRANES VANTIVE HEALTH GMBH (CH) 2022-01-13 US disclosed