SCHEMBL6984199

SCHEMBL6984199

COc1nn(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
MPO P05164 2/20 0.36
ALDH1A1 P00352 4/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPBWR1 P48145 1/20 0.33
GAA P10253 2/20 0.33
MAT2A P31153 1/20 0.32

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
SCHEMBL6986812 0.74 ALDH1A1 (0.40) NPC1RAB9APAX8ALDH1A1PTGS1
SCHEMBL6987843 0.73 HIF1A (0.43) NPC1RAB9APAX8ALDH1A1PTGS2
SCHEMBL6984146 0.72 HIF1A (0.42) NPC1RAB9APAX8ALDH1A1HTT
SCHEMBL6989271 0.71 HIF1A (0.36) MPOALDH1A1LMNAHTTHIF1A
SCHEMBL6983980 0.71 HIF1A (0.40) NPC1RAB9APAX8ALDH1A1HTT
SCHEMBL6984135 0.70 TSHR (0.39) RAB9AMPOALDH1A1LMNAHTT
SCHEMBL6981881 0.70 PDE10A (0.43) ALDH1A1LMNAHTTTSHRGAA
SCHEMBL6818684 0.69 ADORA1 (0.35) ALDH1A1PTGS1PTGS2KMT2ASMN1; SMN2
SCHEMBL6986371 0.68 ALDH1A1 (0.41) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL6987355 0.68 ALDH1A1 (0.38) NPC1RAB9AALDH1A1KMT2ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed