SCHEMBL13637333

SCHEMBL13637333

CCc1ccc(-c2cc(C=O)nn2-c2ccc(OC)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
SMO Q99835 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
OXTR P30559 3/20 0.37
ERN1 O75460 3/20 0.37
AVPR1A P37288 2/20 0.35
PDE1B Q01064 1/20 0.35
CYP11B1 P15538 1/20 0.34

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
SCHEMBL13637630 0.87 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2A
SCHEMBL13212812 0.87 MEN1 (0.43) PTGS2PTGS1MEN1KMT2AERN1
SCHEMBL13213178 0.86 ERN1 (0.42) PTGS2PTGS1MEN1KMT2AOXTR
SCHEMBL13637334 0.86 MEN1 (0.52) PTGS2PTGS1MEN1KMT2AOXTR
SCHEMBL13212839 0.83 MDM2 (0.51) PTGS2PTGS1MEN1KMT2A
SCHEMBL14529327 0.83 ERN1 (0.40) PTGS2PTGS1MEN1KMT2AOXTR
SCHEMBL2916511 0.81 RPA1 (0.54)
SCHEMBL13213071 0.80 MEN1 (0.43) PTGS2PTGS1MEN1KMT2AOXTR
SCHEMBL13213106 0.80 CA9 (0.44) PTGS2MEN1KMT2A
SCHEMBL2917961 0.80 CA9 (0.54) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed