SCHEMBL8946567

SCHEMBL8946567

CCc1cccc(CC)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.45
NTRK3 Q16288 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ANPEP P15144 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8946441 0.89 NTRK1 (0.48) NTRK1NTRK3MEN1KMT2ASMN1; SMN2
SCHEMBL8946563 0.88 NTRK1 (0.57) NTRK1NTRK3MEN1KMT2ASMN1; SMN2
SCHEMBL8946576 0.88 L3MBTL1 (0.51) NTRK1NTRK3KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8946507 0.87 NTRK1 (0.44) NTRK1MEN1KMT2AMAPK1POLB
SCHEMBL8946624 0.86 NTRK1 (0.43) NTRK1NTRK3KMT2ASMN1; SMN2MAPT
SCHEMBL8946671 0.86 NTRK1 (0.48) NTRK1NTRK3MEN1KMT2ASMN1; SMN2
SCHEMBL8946473 0.86 NTRK1 (0.45) NTRK1NTRK3MEN1KMT2ASMN1; SMN2
SCHEMBL8946682 0.83 NTRK1 (0.45) NTRK1NTRK3MEN1KMT2ASMN1; SMN2
SCHEMBL8946363 0.82 NTRK1 (0.51) NTRK1NTRK3MEN1KMT2ASMN1; SMN2
SCHEMBL8946498 0.82 NTRK1 (0.47) NTRK1NTRK3MEN1KMT2AMAPT

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