SCHEMBL1531202

SCHEMBL1531202

C=CCNC(=O)n1nc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL1531164 0.94 ALDH1A1 (0.37) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL38481 0.88 NPSR1 (0.37) ALDH1A1LMNAMEN1KMT2AP2RX7
SCHEMBL1531181 0.85 KDR (0.35) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1531236 0.85 KMT2A (0.34) ALDH1A1MAPTKMT2AL3MBTL1CCR1
SCHEMBL38882 0.82 NPSR1 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2957944 0.82 CCR1 (0.37) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL13201703 0.82 GABRP (0.34) ALDH1A1MAPTMEN1KMT2ACCR1
SCHEMBL2962285 0.81 MEN1 (0.41) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL1531155 0.81 NPSR1 (0.39) LMNAALOX15L3MBTL1CCR1CCR2
SCHEMBL27168510 0.81 GABRP (0.35) ALDH1A1MAPTLMNAMEN1KMT2A

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-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed