SCHEMBL5315652

SCHEMBL5315652

Cc1nn(-c2ccccc2)c(O)c1Cc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.43
RARG P13631 1/20 0.43
RORC P51449 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL22314647 0.89 NPC1 (0.59) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL13495145 0.82 NPC1 (0.67) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL23402488 0.79 NPC1 (0.54) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL23399584 0.76 NPC1 (0.52) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL23401505 0.75 NPC1 (0.51) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL23401146 0.75 NPC1 (0.50) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL18770513 0.75 NPC1 (0.58) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL10630429 0.74 NPC1 (0.50) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL28786731 0.74 POLB (0.59) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL14495713 0.73 NPC1 (0.47) P2RX7NPC1RAB9AMEN1KMT2A

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed