SCHEMBL8946575

SCHEMBL8946575

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(N2CCCC2)nc1-c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LPAR1 Q92633 4/20 0.42
CNR1 P21554 1/20 0.40
KCNQ2 O43526 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTPN11 Q06124 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SMO Q99835 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
SCHEMBL8946495 0.99 MEN1 (0.42) MEN1KMT2ATDP1LPAR1CNR1
SCHEMBL8946790 0.93 CDK9 (0.42) LPAR1MAPTPTPN11SMO
SCHEMBL8946722 0.92 PIK3CA (0.44) TDP1LPAR1ALDH1A1MAPTPTPN11
SCHEMBL8946528 0.87 LMNA (0.41) CNR1KCNQ2ALDH1A1LMNAMAPT
SCHEMBL8946727 0.86 LMNA (0.43) MEN1KMT2ACNR1KCNQ2ALDH1A1
SCHEMBL8946668 0.83 LPAR1 (0.47) KMT2ALPAR1LMNA
SCHEMBL8946359 0.83 NTRK1 (0.53) KMT2ALPAR1
SCHEMBL8946569 0.81 LPAR1 (0.46) KMT2ALPAR1LMNA
SCHEMBL8946618 0.81 L3MBTL1 (0.51) KMT2ALPAR1CNR1LMNA
SCHEMBL8946592 0.80 LPAR1 (0.47) LPAR1MAPT

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