SCHEMBL6990503

SCHEMBL6990503

COCC(C)n1nc(-c2cc(OC)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 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
SCHEMBL6986812 0.88 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6989453 0.79 KMT2A (0.42) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6987419 0.78 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL6987183 0.78 TSHR (0.45) TSHRALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL6985846 0.77 BCL2 (0.41) TSHRALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL6990765 0.76 PTGS2 (0.44) TSHRALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL6982469 0.76 CYP2C9 (0.39) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6983312 0.76 HTT (0.37) TSHRALDH1A1SMN1; SMN2HTTATM
SCHEMBL6984423 0.75 ATM (0.38) ALDH1A1HTTATM
SCHEMBL6987611 0.75 SIGMAR1 (0.44)

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