SCHEMBL13495136

SCHEMBL13495136

COc1ccccc1-n1nc(C)cc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.44
KCNN4 O15554 4/20 0.44
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MEN1 O00255 1/20 0.39
KDM1A O60341 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
APLNR P35414 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
SCHEMBL6174610 0.79 MEN1 (0.56) KCNN4ALDH1A1TP53MAPTMEN1
SCHEMBL3262792 0.77 MAPK1 (0.53) P2RY1ALDH1A1MAPTPOLB
SCHEMBL3260273 0.77 CACNA1B (0.42) KCNN4PLK1ALDH1A1SLC16A3SLC16A1
SCHEMBL3263163 0.77 POLB (0.46) PLK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1826994 0.76 CYP1A2 (0.56) KCNN4ALDH1A1TP53MAPTMEN1
SCHEMBL15442119 0.76 KCNN4 (0.44) P2RY1KCNN4ALDH1A1TP53MAPT
SCHEMBL3263951 0.72 KDM5A (0.43) ALDH1A1MAPTMEN1KMT2AUSP2
SCHEMBL3264182 0.72 KCNN4 (0.39) KCNN4PLK1ALDH1A1MAPTSLC16A3
SCHEMBL3390240 0.72 PLK1 (0.39) KCNN4PLK1ALDH1A1MAPTSLC16A3
SCHEMBL15428768 0.70 MAPK14 (0.44) P2RY1ALDH1A1MAPTMEN1KDM1A

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
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed