SCHEMBL7127907

SCHEMBL7127907

N#Cc1cccc(-c2cnc(C(=O)[AsH]c3ccc(Br)cc3C(=O)O)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.49
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CES1 P23141 1/20 0.36
EIF4A3 P38919 1/20 0.36
PRKDC P78527 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
F11 P03951 1/20 0.34
PIN1 Q13526 1/20 0.34
ATR Q13535 2/20 0.34
EGLN1 Q9GZT9 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL6830680 0.81 FAAH (0.49) FAAHXDHSLC22A12FLT1FLT4
SCHEMBL29268996 0.78 FAAH (0.64) FAAHXDHSLC22A12FLT1FLT4
Lithium SCHEMBL30975829 0.78 FAAH (0.64) FAAHXDHSLC22A12FLT1FLT4
SCHEMBL6833423 0.72 FAAH (0.52) FAAHXDHSLC22A12FLT1FLT4
Lithium Ion SCHEMBL22557575 0.72 FAAH (0.59) FAAHXDHSLC22A12FLT1FLT4
SCHEMBL6834004 0.69 TUBB4A (0.44) FAAHHDAC1HDAC6KMT2A
SCHEMBL29269012 0.69 HDAC1 (0.55) FAAHHDAC1HDAC6CES1NPC1
Lithium SCHEMBL30975809 0.69 HDAC1 (0.55) FAAHHDAC1HDAC6CES1NPC1
SCHEMBL6926835 0.68 FAAH (0.57) FAAHFLT1FLT4KDRCES1
SCHEMBL31223841 0.67 XDH (0.55) FAAHXDHSLC22A12PRKDCNPC1

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed