SCHEMBL6987843

SCHEMBL6987843

Cc1cnn(-c2ccccc2)c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.43
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
PPARG P37231 2/20 0.37
NCOA2 Q15596 2/20 0.37
NCOA1 Q15788 2/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 4/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
BLM P54132 1/20 0.35
NPC1 O15118 3/20 0.35
HTT P42858 2/20 0.35
PAX8 Q06710 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MITF O75030 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
SCHEMBL6984146 0.86 HIF1A (0.42) HIF1AALDH1A1NPSR1PPARGNCOA2
SCHEMBL6983980 0.84 HIF1A (0.40) HIF1AALDH1A1NPSR1PPARGNCOA2
SCHEMBL6984135 0.81 TSHR (0.39) HIF1AALDH1A1NPSR1PPARGNCOA2
SCHEMBL6989271 0.79 HIF1A (0.36) HIF1AALDH1A1NPSR1PPARGNCOA2
SCHEMBL6985009 0.77 ALDH1A1 (0.38) HIF1AALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6981881 0.76 PDE10A (0.43) ALDH1A1TSHRPOLBGAAHTT
SCHEMBL6984199 0.73 NPC1 (0.42) HIF1APTGS2ALDH1A1TSHRMAPK1
SCHEMBL6984311 0.73 MAPK14 (0.44) POLB
SCHEMBL6986371 0.72 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1POLBRAB9A
SCHEMBL6987355 0.72 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1RAB9AGAA

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