SCHEMBL2858207

SCHEMBL2858207

CCCc1c(OC(=O)NCc2ccco2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 11/20 0.48
LMNA P02545 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
NR3C1 P04150 1/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2850503 0.82 HPGD (0.48) HSD17B10ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL2855394 0.81 ALDH1A1 (0.54) ALDH1A1LMNARAB9ATP53MAPT
SCHEMBL2856416 0.79 ALDH1A1 (0.52) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL2863421 0.79 EPHX1 (0.46) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL2852393 0.79 ALDH1A1 (0.43) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL2856997 0.79 ALDH1A1 (0.57) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL5325459 0.78 ALDH1A1 (0.53) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL2855497 0.78 MAPT (0.52) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL2852403 0.78 CACNA1G (0.43) ALDH1A1LMNARAB9AMAPTMAPK1
SCHEMBL2857176 0.78 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTMAPK1

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