SCHEMBL8946528

SCHEMBL8946528

CCc1cccc(CC)c1NC(=O)Nc1cnc(N2CCCC2)nc1-c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.40
KCNQ2 O43526 2/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PYGL P06737 1/20 0.38
PTPN11 Q06124 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMO Q99835 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL8946727 0.99 LMNA (0.43) LMNAMAPTCNR1KCNQ2S1PR4
SCHEMBL8946840 0.93 TP53 (0.42) MAPTS1PR4ALDH1A1PTPN11KDM4E
SCHEMBL8946520 0.92 PIK3R1 (0.43) MAPTALDH1A1PTPN11
SCHEMBL8946575 0.87 MEN1 (0.43) LMNAMAPTCNR1KCNQ2S1PR4
SCHEMBL8946495 0.86 MEN1 (0.42) LMNAMAPTCNR1KCNQ2S1PR4
SCHEMBL8946926 0.83 NTRK1 (0.53) S1PR4
SCHEMBL8946542 0.81 ANPEP (0.40) CNR1S1PR4ANPEP
SCHEMBL8946397 0.81 S1PR4 (0.39) LMNACNR1S1PR4ANPEP
SCHEMBL8946580 0.81 NPC1 (0.41) LMNAMAPTCNR1S1PR4ALDH1A1
SCHEMBL8946576 0.81 L3MBTL1 (0.51) LMNAMAPTCNR1ALDH1A1ANPEP

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