SCHEMBL11323396

SCHEMBL11323396

CCN(CC)CCNCCCNCCN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.48
CYP2C19 P33261 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GLA P06280 1/20 0.48
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL7994712 0.92 PAOX (0.57) PAOXCYP2C19MEN1KMT2AGLA
SCHEMBL229973 0.91 PAOX (0.43) PAOXCYP2C19MEN1KMT2AALDH1A1
SCHEMBL10814957 0.90 TSHR (0.50) PAOXCYP2C19MEN1KMT2AGLA
SCHEMBL3784120 0.87 TSHR (0.62) PAOXCYP2C19MEN1KMT2AGLA
SCHEMBL759902 0.86 PAOX (0.61) PAOXCYP2C19MEN1KMT2AGLA
SCHEMBL6142093 0.85 TDP1 (0.56) PAOXCYP2C19MEN1KMT2AGLA
SCHEMBL8473674 0.85 TSHR (0.59) PAOXCYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL8470713 0.85 TSHR (0.59) PAOXCYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL2182287 0.85 TDP1 (0.56) PAOXCYP2C19MEN1KMT2ACYP1A2
SCHEMBL2182948 0.85 PAOX (0.47) PAOXCYP2C19MEN1KMT2AGLA

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-4291150-A INTERFACIAL POLYMERIZATION GENERAL ELECTRIC CO. (US) 1981-09-22 US disclosed