SCHEMBL2853344

SCHEMBL2853344

Cc1c(OC(=O)NCc2ccccc2)cnn1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
CCR1 P32246 3/20 0.51
MAPK1 P28482 1/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SMO Q99835 1/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
P2RX7 Q99572 2/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL2853267 0.96 HPGD (0.55) HPGDCCR1MAPK1MAPTALDH1A1
SCHEMBL2863134 0.94 CCR1 (0.48) HPGDCCR1MAPK1MAPTALDH1A1
SCHEMBL2861261 0.92 HPGD (0.64) HPGDMAPK1MAPTALDH1A1RAB9A
SCHEMBL2856499 0.89 ALDH1A1 (0.53) HPGDCCR1MAPTALDH1A1KMT2A
SCHEMBL2857180 0.89 NPSR1 (0.53) CCR1MAPK1MAPTRAB9ASMO
SCHEMBL2854802 0.88 LMNA (0.48) CCR1MAPTALDH1A1MEN1KMT2A
SCHEMBL2860234 0.88 HPGD (0.54) HPGDMAPK1MAPTALDH1A1RAB9A
SCHEMBL2854625 0.87 POLB (0.48) HPGDCCR1ALDH1A1RAB9ANPC1
SCHEMBL2850369 0.85 P2RX7 (0.56) CCR1MAPTTP53P2RX7
SCHEMBL2854804 0.85 MAPK1 (0.48) HPGDCCR1MAPK1MAPTALDH1A1

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