SCHEMBL10364451

SCHEMBL10364451

[CH2]CCCCNCCCNC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.45
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL10363933 0.97 EPHX1 (0.46) PAOXCYP2C19CYP1A2EPHX1MEN1
SCHEMBL10364507 0.97 PAOX (0.46) PAOXCYP2C19CYP1A2EPHX1MEN1
SCHEMBL10365344 0.95 EPHX1 (0.48) PAOXCYP2C19CYP1A2EPHX1ALDH1A1
SCHEMBL10363448 0.95 EPHX1 (0.48) PAOXCYP2C19CYP1A2EPHX1ALDH1A1
SCHEMBL10365351 0.95 EPHX1 (0.48) PAOXCYP2C19CYP1A2EPHX1ALDH1A1
SCHEMBL10364478 0.95 EPHX1 (0.48) PAOXCYP2C19CYP1A2EPHX1ALDH1A1
SCHEMBL10365483 0.95 EPHX1 (0.48) PAOXCYP2C19CYP1A2EPHX1ALDH1A1
SCHEMBL10363425 0.92 PAOX (0.46) PAOXCYP2C19CYP1A2EPHX1MEN1
SCHEMBL10365395 0.92 PAOX (0.41) PAOXCYP2C19CYP1A2EPHX1MEN1
SCHEMBL10363430 0.90 EPHX1 (0.48) PAOXCYP2C19CYP1A2EPHX1ALDH1A1

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-4918107-A HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS TSUMURA & CO. (JP) 1990-04-17 US disclosed