SCHEMBL9722694

SCHEMBL9722694

CC(C)(C)c1ccc(OCC(=O)Nc2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.60
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
TP53 P04637 2/20 0.59
PKM P14618 2/20 0.59
LMNA P02545 4/20 0.58
POLB P06746 3/20 0.58
GAA P10253 3/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
ADRB2 P07550 1/20 0.53

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 SCHEMBL7014888 0.83 GAA (0.69) NPC1RAB9ATP53PKMLMNA
SCHEMBL4299455 0.80 HIF1A (0.66) HCAR2LMNAPOLBGAACYP2C19
SCHEMBL2562542 0.80 RAB9A (0.59) NPC1RAB9ATP53PKMLMNA
SCHEMBL4301471 0.79 HIF1A (0.63) HCAR2LMNAPOLBHIF1AEPAS1
SCHEMBL4293603 0.79 HIF1A (0.61) HCAR2NPC1RAB9ALMNAPOLB
SCHEMBL7009381 0.79 KMT2A (0.62) NPC1RAB9ATP53PKMLMNA
SCHEMBL13676198 0.79 GAA (0.61) NPC1RAB9ALMNAPOLBGAA
SCHEMBL31503974 0.79 TRPV1 (0.70) HCAR2LMNAPOLBHIF1AEPAS1
SCHEMBL30463842 0.79 LMNA (0.55) HCAR2TP53LMNAPOLBGAA
SCHEMBL12042421 0.77 NPC1 (0.78) NPC1RAB9ATP53LMNATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US claimed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed