SCHEMBL6642017

SCHEMBL6642017

CC(Nc1ccccc1)(C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KMT2A Q03164 1/20 0.55
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KCNN4 O15554 5/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL363022 0.85 HDAC3 (0.46) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL11245803 0.80 PDK1 (0.53) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL15955100 0.79 MAPT (0.57) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL27897911 0.79 MAPT (0.57) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL3076892 0.79 MAPT (0.50) MAPTKMT2ANAPRTHSD17B10GAA
SCHEMBL11853935 0.77 CYP2C19 (0.41) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL27773272 0.77 MAPT (0.48) MAPTKMT2AKCNN4GAAGFER
SCHEMBL9290177 0.75 NPC1 (0.46) MAPTKMT2AKCNK9
SCHEMBL27726277 0.75 MAPT (0.52) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL5674843 0.75 MAPT (0.52) MAPTKMT2AHDAC3HDAC4HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed