SCHEMBL6983980

SCHEMBL6983980

CC(C)n1nc(-c2c(C(C)(C)C)cnn2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.40
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
S1PR4 O95977 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
S1PR1 P21453 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
NCOA2 Q15596 2/20 0.35
NCOA1 Q15788 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
BMPR1B O00238 1/20 0.35

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
SCHEMBL6987843 0.84 HIF1A (0.43) HIF1AALDH1A1MAPTNPC1MITF
SCHEMBL6984146 0.83 HIF1A (0.42) HIF1AALDH1A1MAPTNPC1MITF
SCHEMBL6984135 0.78 TSHR (0.39) HIF1AALDH1A1MAPTHTTRAB9A
SCHEMBL6989271 0.77 HIF1A (0.36) HIF1AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL6985009 0.74 ALDH1A1 (0.38) HIF1AALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL6981881 0.74 PDE10A (0.43) ALDH1A1HTTCYP2C9GAA
SCHEMBL6984199 0.71 NPC1 (0.42) HIF1AALDH1A1NPC1HTTRAB9A
SCHEMBL6984311 0.70 MAPK14 (0.44) KDM4E
SCHEMBL6987779 0.70 ALDH1A1 (0.39) HIF1AALDH1A1MAPTNPC1HTT
SCHEMBL6986371 0.69 ALDH1A1 (0.41) ALDH1A1NPC1HTTRAB9AGRN

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