SCHEMBL8946576

SCHEMBL8946576

CCc1cccc(CC)c1NC(=O)Nc1cnc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
NTRK1 P04629 7/20 0.45
NTRK3 Q16288 3/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK2 Q16620 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ANPEP P15144 1/20 0.39
CNR1 P21554 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
SCHEMBL8946713 0.91 L3MBTL1 (0.41) L3MBTL1NTRK1CNR1
SCHEMBL8946441 0.89 NTRK1 (0.48) NTRK1NTRK3LMNAALDH1A1MAPK1
SCHEMBL8946563 0.88 NTRK1 (0.57) NTRK1NTRK3LMNACYP1A2CYP2C9
SCHEMBL8946567 0.88 NTRK1 (0.45) L3MBTL1NTRK1NTRK3LMNACYP1A2
SCHEMBL8946617 0.88 L3MBTL1 (0.53) L3MBTL1NTRK1NTRK3NTRK2
SCHEMBL8946363 0.87 NTRK1 (0.51) NTRK1NTRK3LMNACYP1A2CYP2C9
SCHEMBL8946926 0.86 NTRK1 (0.53) NTRK1NTRK3KMT2ANTRK2
SCHEMBL8946671 0.86 NTRK1 (0.48) NTRK1NTRK3LMNAALDH1A1MAPK1
SCHEMBL8946624 0.86 NTRK1 (0.43) NTRK1NTRK3LMNACYP1A2ALDH1A1
SCHEMBL8946498 0.86 NTRK1 (0.47) NTRK1NTRK3LMNACYP1A2CYP2C9

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