SCHEMBL8946547

SCHEMBL8946547

O=C(Nc1ccccc1C(F)(F)F)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
NTRK1 P04629 4/20 0.46
GRIK1 P39086 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DDX3X O00571 1/20 0.41
PLK4 O00444 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
ROS1 P08922 1/20 0.41

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
SCHEMBL8946654 0.85 L3MBTL1 (0.55) L3MBTL1NTRK1KDM4EMEN1KMT2A
SCHEMBL8946857 0.82 L3MBTL1 (0.53) L3MBTL1NTRK1KDM4EMEN1KMT2A
SCHEMBL8946920 0.82 L3MBTL1 (0.50) L3MBTL1NTRK1MEN1KMT2A
SCHEMBL8946858 0.81 ADORA3 (0.53) L3MBTL1NTRK1GRIK1KDM4EMEN1
SCHEMBL8946589 0.81 L3MBTL1 (0.49) L3MBTL1NTRK1MEN1KMT2A
SCHEMBL8946576 0.80 L3MBTL1 (0.51) L3MBTL1NTRK1KMT2AALDH1A1TSHR
SCHEMBL8946540 0.80 SMN1; SMN2 (0.49) L3MBTL1MEN1KMT2AMAPK1
SCHEMBL8946750 0.80 L3MBTL1 (0.48) L3MBTL1NTRK1MEN1KMT2A
SCHEMBL8946507 0.80 NTRK1 (0.44) NTRK1KDM4EMEN1KMT2ARXFP1
SCHEMBL8946617 0.80 L3MBTL1 (0.53) L3MBTL1NTRK1NTRK2

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
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed