SCHEMBL6984282

SCHEMBL6984282

CC(C)n1nc(-c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6981802 0.90 ALDH1A1 (0.42) HSD17B10GAAKMT2AMEN1ALDH1A1
SCHEMBL6981026 0.88 AGTR2 (0.40) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6984622 0.86 AGTR2 (0.39) HSD17B10KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6986283 0.84 HTR2C (0.42)
SCHEMBL6988437 0.83 ALDH1A1 (0.45) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6986113 0.82 AGTR2 (0.41) HSD17B10GAAKMT2AMEN1ALDH1A1
SCHEMBL6983767 0.82 DRD4 (0.41) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6986237 0.81 AGTR2 (0.39) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6988584 0.81 USP2 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6984642 0.80 HRH3 (0.39)

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