SCHEMBL2853267

SCHEMBL2853267

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
P2RX7 Q99572 1/20 0.48
SMO Q99835 2/20 0.47
CCR1 P32246 1/20 0.46
FAAH O00519 2/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 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
SCHEMBL2853344 0.96 HPGD (0.55) HPGDMAPTALDH1A1RAB9ALMNA
SCHEMBL2863134 0.94 CCR1 (0.48) HPGDMAPTALDH1A1SMN1; SMN2P2RX7
SCHEMBL2861261 0.92 HPGD (0.64) HPGDMAPTALDH1A1RAB9ALMNA
SCHEMBL2857180 0.89 NPSR1 (0.53) MAPTRAB9AP2RX7SMOCCR1
SCHEMBL2852334 0.89 HPGD (0.55) HPGDMAPTALDH1A1RAB9ALMNA
SCHEMBL2854802 0.88 LMNA (0.48) MAPTALDH1A1LMNACCR1FAAH
SCHEMBL2856499 0.85 ALDH1A1 (0.53) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2854847 0.85 ALDH1A1 (0.48) HPGDMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2854625 0.85 POLB (0.48) HPGDALDH1A1RAB9ALMNAP2RX7
SCHEMBL2858157 0.84 POLB (0.55) HPGDALDH1A1RAB9ALMNAP2RX7

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