SCHEMBL6989453

SCHEMBL6989453

COc1cc(-c2ccc(=O)n(C)n2)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40
BRD4 O60885 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6990765 0.84 PTGS2 (0.44) KMT2AALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL6986812 0.84 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6985903 0.80 FGFR1 (0.37) KMT2AALDH1A1SMN1; SMN2
SCHEMBL6990503 0.79 TSHR (0.39) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6979697 0.78 CYP1A2 (0.44) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6987042 0.77 PDE10A (0.37) KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL6982802 0.76 PDE1A (0.36) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6983287 0.76 PDE1A (0.36) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6987206 0.76 PDE1A (0.36) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6985846 0.73 BCL2 (0.41) KMT2AALDH1A1SMN1; SMN2HTTBRD4

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