SCHEMBL3719682

SCHEMBL3719682

O=C(Nc1[c]n[nH]c1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ROCK2 O75116 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MGLL Q99685 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
CTRB1 P17538 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL3430834 0.77 POLB (0.57) POLBROCK2NPC1RAB9AMGLL
SCHEMBL5789238 0.75 NPC1 (0.55) POLBROCK2NPC1RAB9AMGLL
SCHEMBL2035775 0.75 NPC1 (0.54) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL6965453 0.74 MEN1 (0.46) POLBNPC1RAB9ASMN1; SMN2LMNA
Benzyl Phenylcarbamate SCHEMBL1222943 0.73 POLB (0.78) POLBROCK2NPC1RAB9AMGLL
SCHEMBL27924561 0.72 MGLL (0.52) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL2295789 0.72 CA12 (0.66) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL7360148 0.71 MGLL (0.51) POLBNPC1RAB9AMGLLSMN1; SMN2
SCHEMBL18640773 0.71 POLB (0.65) POLBROCK2NPC1RAB9AMGLL
SCHEMBL29777624 0.71 POLB (0.56) POLBROCK2NPC1RAB9AMGLL

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
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed