SCHEMBL2854337

SCHEMBL2854337

Cc1c(OC(=O)NCc2cccc(-c3ccccc3)c2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
EPHX1 P07099 2/20 0.49
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.44
AOC3 Q16853 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CCR1 P32246 1/20 0.43
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PADI3 Q9ULW8 1/20 0.42

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 0.90 HPGD (0.64) HPGDALDH1A1RAB9ANPC1POLB
SCHEMBL2854225 0.86 CCR1 (0.60) HPGDMAPTCCR1
SCHEMBL2863421 0.86 EPHX1 (0.46) HPGDEPHX1ALDH1A1RAB9AAOC3
SCHEMBL2856304 0.85 KEAP1 (0.53) HPGDEPHX1ALDH1A1AOC3POLB
SCHEMBL2858313 0.84 P2RX7 (0.56) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2859509 0.84 KMT2A (0.54) HPGDEPHX1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2852334 0.83 HPGD (0.55) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2853344 0.83 HPGD (0.55) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2853267 0.83 HPGD (0.55) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2860234 0.82 HPGD (0.54) HPGDALDH1A1RAB9ANPC1POLB

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