SCHEMBL6960658

SCHEMBL6960658

[O]C(=O)N(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 2/20 0.37
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL4741531 0.82 NPSR1 (0.50) NPSR1ALDH1A1KMT2ATSHRHTT
Bicarbonate SCHEMBL6732703 0.78 NPSR1 (0.57) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL8396656 0.78 NPSR1 (0.46) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL16586083 0.78 NPSR1 (0.46) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL6971305 0.78 NPSR1 (0.46) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL8396658 0.78 NPSR1 (0.46) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL1635424 0.78 NPSR1 (0.46) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL6958933 0.78 ALDH1A1 (0.43) NPSR1ALDH1A1KMT2ATSHRHTT
Bicarbonate SCHEMBL27820467 0.78 NPSR1 (0.41) NPSR1ALDH1A1KMT2ATSHRHTT
SCHEMBL4516422 0.76 L3MBTL1 (0.50) NPSR1ALDH1A1KMT2ATSHRRAB9A

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed