SCHEMBL3909697

SCHEMBL3909697

CSc1nccc(CC(=O)c2cc(C)cc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 4/20 0.31
POLB P06746 3/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 1/20 0.31
SRPK1 Q96SB4 1/20 0.30
NTRK1 P04629 1/20 0.30
F2 P00734 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3919321 0.89 SHMT1 (0.36) FFAR4SHMT1SHMT2MAPTHPGD
SCHEMBL987167 0.83 MEN1 (0.38) FFAR4TSHRMAPTHPGDALDH1A1
SCHEMBL3913171 0.82 NAMPT (0.34) TSHRMAPTHPGDALDH1A1F2
SCHEMBL2933353 0.77 RAB9A (0.42) FFAR4MAPTHPGDALDH1A1POLB
SCHEMBL3911302 0.76 KMT2A (0.30) ALDH1A1KMT2ANPSR1
SCHEMBL3920398 0.76 KMT2A (0.30) ALDH1A1KMT2ANPSR1
SCHEMBL14414201 0.76 ALOX15 (0.34) FFAR4TSHRMAPTALDH1A1POLB
SCHEMBL5605247 0.73 MAOB (0.53) TSHRALDH1A1KMT2A
SCHEMBL2926214 0.73 RAB9A (0.48) TSHRALDH1A1POLBALOX15SRPK1
SCHEMBL3912903 0.72 MAPT (0.41) FFAR4MAPTHPGDALDH1A1POLB

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-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed