SCHEMBL8946654

SCHEMBL8946654

O=C(Nc1ccccc1)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
CNR1 P21554 1/20 0.53
LMNA P02545 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NTRK1 P04629 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.44

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
SCHEMBL8946595 0.87 L3MBTL1 (0.50) L3MBTL1CNR1LMNAMEN1KMT2A
SCHEMBL8946857 0.85 L3MBTL1 (0.53) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL8946307 0.85 L3MBTL1 (0.50) L3MBTL1CNR1LMNAMEN1KMT2A
SCHEMBL8946617 0.85 L3MBTL1 (0.53) L3MBTL1NTRK1
SCHEMBL8946920 0.85 L3MBTL1 (0.50) L3MBTL1LMNAMEN1KMT2ACYP1A2
SCHEMBL8946858 0.85 ADORA3 (0.53) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL8946547 0.85 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1NTRK1
SCHEMBL8946735 0.84 L3MBTL1 (0.51) L3MBTL1NTRK1MAPTPOLBNPC1
SCHEMBL8946873 0.84 L3MBTL1 (0.51) L3MBTL1CNR1LMNAMEN1KMT2A
SCHEMBL8946750 0.84 L3MBTL1 (0.48) L3MBTL1LMNAMEN1KMT2ACYP1A2

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