SCHEMBL6979346

SCHEMBL6979346

COc1ccc(Oc2cc(-c3ccc(=O)n(C(C)C)n3)n(-c3ccccc3)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NTRK1 P04629 1/20 0.36
TSHR P16473 2/20 0.35
ATM Q13315 1/20 0.35
NPBWR1 P48145 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RPA1 P27694 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 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
SCHEMBL6983706 0.85 HTT (0.36) ALDH1A1KMT2ASMN1; SMN2HRH3HTT
SCHEMBL6982469 0.85 CYP2C9 (0.39) ALDH1A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL6986812 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL6987271 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL6987183 0.79 TSHR (0.45) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL6985846 0.79 BCL2 (0.41) ALDH1A1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL6989950 0.78 CYP3A4 (0.35) ALDH1A1HTTLMNATSHRCYP1A2
SCHEMBL6987419 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL6986605 0.76 HTT (0.48) ALDH1A1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL6983312 0.75 HTT (0.37) ALDH1A1SMN1; SMN2HTTTSHRATM

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