SCHEMBL4349907

SCHEMBL4349907

CCCC1=CC(=O)[N+](Cn2cncc2NC(=O)OCc2ccccc2)=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
P2RX7 Q99572 1/20 0.35
ROCK2 O75116 1/20 0.35
MAOB P27338 1/20 0.35
SCD O00767 2/20 0.35
LMNA P02545 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6557730 0.65 NPC1 (0.49) POLBSMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL14790527 0.65 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL14711447 0.65 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL6556281 0.64 NPC1 (0.46) POLBSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL4759503 0.64 SMN1; SMN2 (0.57) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL6556294 0.64 NPC1 (0.47) POLBSMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL590420 0.63 POLB (0.62) POLBSMN1; SMN2NPC1RAB9AMAPKAPK2
SCHEMBL27415197 0.62 SMN1; SMN2 (0.55) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL1568055 0.62 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL27467966 0.61 NPC1 (0.50) POLBSMN1; SMN2NPC1RAB9AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197949-A1 ANTITUMOR METHODS AND COMPOSITIONS COMPRISING SESQUITERPENE DERIVATIVES F.P.L. PHARMA, INC. (CA) 2009-08-06 US disclosed
EP-1706376-B1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2009-03-04 EP disclosed
US-20040191342-A1 Antitumor methods and compositions comprising sesquiterpene derivatives F.P.L. PHARMA INC. (CA) 2004-09-30 US disclosed
EP-1372677-A1 ANTITUMOR METHODS AND COMPOSITIONS COMPRISING SESQUITERPENE DERIVATIVES F.P.L. Pharma Inc. (CA) 2004-01-02 EP disclosed
WO-2002078719-A1 ANTITUMOR METHODS AND COMPOSITIONS COMPRISING SESQUITERPENE DERIVATIVES F.P.L. PHARMA INC. (CA) 2002-10-10 WO disclosed