SCHEMBL1738359

SCHEMBL1738359

O=C(O)c1cc(-c2ccccc2)n(CC2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 4/20 0.52
MARS1 P56192 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 3/20 0.46
P2RY14 Q15391 3/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1738076 0.79 MARS1 (0.64) RPA1MARS1ALDH1A1MAPTHTT
SCHEMBL3023379 0.78 RAB9A (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL15964701 0.76 P2RY14 (0.52) ALDH1A1P2RY14L3MBTL1
SCHEMBL31429324 0.75 RPA1 (0.54) RPA1MARS1ALDH1A1MAPTHTT
SCHEMBL12154500 0.75 P2RY14 (0.39) RPA1MARS1P2RY14
SCHEMBL20388614 0.73 HTR2C (0.64) P2RY14
SCHEMBL21384233 0.73 P2RY14 (0.43) ALDH1A1MAPTMEN1KMT2AP2RY14
SCHEMBL18939425 0.72 RPA1 (0.54) RPA1MARS1ALDH1A1MAPTHTT
SCHEMBL28554732 0.72 MARS1 (0.61) RPA1MARS1P2RY14
SCHEMBL3564370 0.72 SMPD1 (0.59) RPA1MARS1ALDH1A1MAPTHTT

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
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed