SCHEMBL2852334

SCHEMBL2852334

Cc1c(OC(=O)NCc2ccc(Cl)cc2)cnn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
GAA P10253 1/20 0.54
CCR1 P32246 4/20 0.51
NR3C1 P04150 1/20 0.49
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2861261 0.92 HPGD (0.64) HPGDGAARAB9AMEN1NPC1
SCHEMBL2857180 0.89 NPSR1 (0.53) GAACCR1RAB9ATP53MAPT
SCHEMBL2859872 0.89 TAAR1 (0.54) HPGDGAANR3C1RAB9AMEN1
SCHEMBL2853267 0.89 HPGD (0.55) HPGDCCR1RAB9ANPC1TP53
SCHEMBL2858313 0.88 P2RX7 (0.56) HPGDGAACCR1RAB9AMEN1
SCHEMBL2854531 0.88 LMNA (0.52) CCR1NR3C1RAB9AMEN1NPC1
SCHEMBL2858097 0.84 P2RX7 (0.53) HPGDRAB9ANPC1TP53MAPT
SCHEMBL2853344 0.84 HPGD (0.55) HPGDCCR1RAB9AMEN1NPC1
SCHEMBL2856356 0.84 ALDH1A1 (0.47) HPGDGAACCR1NR3C1RAB9A
SCHEMBL2860234 0.83 HPGD (0.54) HPGDGAANR3C1RAB9AMEN1

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