SCHEMBL6420198

SCHEMBL6420198

CC(C)c1ccc(C2NCCc3[nH]cnc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
ALDH1A1 P00352 5/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 1/20 0.67
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.33
NISCH Q9Y2I1 1/20 0.32
AOC3 Q16853 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PRCP P42785 2/20 0.31

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
SCHEMBL3441643 0.80 RAB9A (1.00) LMNAALDH1A1RAB9APOLBKDM4E
SCHEMBL4357488 0.79 RAB9A (0.74) LMNAALDH1A1RAB9APOLBKDM4E
Hydrochloric Acid SCHEMBL7526788 0.79 RAB9A (0.97) LMNAALDH1A1RAB9APOLBKDM4E
SCHEMBL1977154 0.72 RAB9A (0.51) LMNAALDH1A1RAB9APOLBAOC3
Hydrochloric Acid SCHEMBL11516807 0.71 RAB9A (0.50) LMNAALDH1A1RAB9APOLBAOC3
Hydrochloric Acid SCHEMBL1978418 0.71 RAB9A (0.50) LMNAALDH1A1RAB9APOLBAOC3
SCHEMBL4004258 0.70 RAB9A (0.56) LMNAALDH1A1RAB9APOLBKDM4E
Hydrochloric Acid SCHEMBL7529821 0.68 RAB9A (0.54) LMNAALDH1A1RAB9APOLBKDM4E
SCHEMBL1991375 0.68 RAB9A (0.66) LMNAALDH1A1RAB9APOLBKDM4E
Hydrochloric Acid SCHEMBL11515794 0.67 RAB9A (0.64) LMNAALDH1A1RAB9APOLBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed