SCHEMBL8946580

SCHEMBL8946580

CCOc1ncc(NC(=O)Nc2c(CC)cccc2CC)c(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR4 O95977 1/20 0.39
NTRK1 P04629 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
ANPEP P15144 1/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
PTGER3 P43115 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL8946592 0.89 LPAR1 (0.47) KDM4EMAPTSMN1; SMN2
SCHEMBL8946926 0.86 NTRK1 (0.53) S1PR4NTRK1KMT2ACRHBPCRHR2
SCHEMBL8946542 0.84 ANPEP (0.40) S1PR4NTRK1ANPEPCNR1POLB
SCHEMBL8946397 0.84 S1PR4 (0.39) S1PR4NTRK1ANPEPCNR1LMNA
SCHEMBL8946576 0.84 L3MBTL1 (0.51) ALDH1A1NTRK1MAPTANPEPCNR1
SCHEMBL8946713 0.81 L3MBTL1 (0.41) S1PR4NTRK1CNR1
SCHEMBL8946528 0.81 LMNA (0.41) ALDH1A1KDM4ES1PR4MAPTANPEP
SCHEMBL8946727 0.80 LMNA (0.43) ALDH1A1S1PR4MAPTCNR1MEN1
SCHEMBL8946840 0.79 TP53 (0.42) ALDH1A1KDM4ES1PR4MAPTPOLB
SCHEMBL8946520 0.78 PIK3R1 (0.43) ALDH1A1MAPTTDP1

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