SCHEMBL14780962

SCHEMBL14780962

N=C(N)NC1CCCCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NOS2 P35228 1/20 0.42
MMP2 P08253 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP8 P22894 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL2233593 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL14447237 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL14447399 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL19359634 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL13030308 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL23736061 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL19359635 1.00 EPHX1 (0.50) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL23736062 0.97 SIGMAR1 (0.48) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL16702587 0.97 SIGMAR1 (0.48) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A
SCHEMBL20075957 0.97 SIGMAR1 (0.46) EPHX1SMN1; SMN2SIGMAR1NPC1RAB9A

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-8399659-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed