SCHEMBL10679356

SCHEMBL10679356

CN1CCN(C(=O)c2ccc(OC(=O)c3ccc(NC(=N)N)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.60
LMNA P02545 2/20 0.51
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.47
NAMPT P43490 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
Hydrochloric Acid SCHEMBL10677002 0.99 EPHX2 (0.58) EPHX2LMNAHPGDNPC1POLB
SCHEMBL16222307 0.89 EPHX2 (0.66) EPHX2LMNAHPGDPOLBNAMPT
SCHEMBL10676261 0.86 EPHX2 (0.47) EPHX2LMNAHPGDNAMPTMEN1
Hydrochloric Acid SCHEMBL10678742 0.86 EPHX2 (0.61) EPHX2LMNAHPGDPRSS1ACR
SCHEMBL27694063 0.86 EPHX2 (0.45) EPHX2LMNANAMPTPRSS1ALDH1A1
SCHEMBL10684701 0.85 EPHX2 (0.52) EPHX2LMNAHPGDNAMPTMEN1
Hydrochloric Acid SCHEMBL10766698 0.85 EPHX2 (0.47) EPHX2LMNAHPGDNAMPTMEN1
Hydrochloric Acid SCHEMBL10688921 0.85 EPHX2 (0.44) EPHX2LMNANAMPTPRSS1ACR
SCHEMBL10687581 0.85 MEN1 (0.46) EPHX2LMNAHPGDPOLBMEN1
Hydrochloric Acid SCHEMBL10680333 0.85 EPHX2 (0.49) EPHX2HPGDPRSS1ACR

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-4746737-A ANTI-TRYPSIN, ANTI-THROMBIN AGENTS, ANTICOAGULANTS KOWA CO., LTD. (JP) 1988-05-24 US claimed