SCHEMBL2858097

SCHEMBL2858097

Cc1c(OC(=O)NCc2ccccc2Cl)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.53
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2850369 0.92 P2RX7 (0.56) P2RX7TP53MAPT
SCHEMBL2853335 0.91 TP53 (0.48) P2RX7TP53MAPTTHRBNPC1
SCHEMBL2856602 0.89 RIPK1 (0.46) P2RX7TP53MAPTHPGD
SCHEMBL2858157 0.87 POLB (0.55) P2RX7HPGDLMNANPC1RAB9A
SCHEMBL2861261 0.85 HPGD (0.64) MAPTHPGDLMNANPC1RAB9A
SCHEMBL2852334 0.84 HPGD (0.55) TP53MAPTHPGDLMNANPC1
SCHEMBL2858313 0.84 P2RX7 (0.56) P2RX7MAPTHPGDLMNANPC1
SCHEMBL2858268 0.84 P2RX7 (0.48) P2RX7TP53MAPTHPGDLMNA
SCHEMBL2858680 0.81 NPC1 (0.45) P2RX7TP53MAPTNPC1RAB9A
SCHEMBL2854815 0.81 MEN1 (0.50) MAPTLMNANPC1RAB9A

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed