SCHEMBL3170207

SCHEMBL3170207

O=C(CCCOc1cccc(-c2[c]cccc2)c1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 4/20 0.48
TSHR P16473 4/20 0.48
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 5/20 0.47
LMNA P02545 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
HSD17B10 Q99714 2/20 0.44
BACE1 P56817 1/20 0.44
MAPK1 P28482 2/20 0.43

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
SCHEMBL3170212 0.83 HPGD (0.63) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3870652 0.74 HPGD (0.71) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3174328 0.73 HPGD (0.74) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3154775 0.73 RAB9A (0.68) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3163742 0.72 HPGD (0.71) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL3729005 0.72 KDM4E (0.47) SMN1; SMN2KMT2AALDH1A1MEN1HTT
SCHEMBL7560143 0.71 HPGD (0.62) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL6642363 0.70 NPC1 (0.59) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL4218764 0.69 CYP1A2 (0.35) MAPTGAAHRH3BACE1KDM4E
SCHEMBL6963144 0.69 MAPT (0.47) HPGDSMN1; SMN2RAB9AALDH1A1MAPT

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
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed