SCHEMBL4454564

SCHEMBL4454564

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
MPO P05164 1/20 0.67
TSHR P16473 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
CTSC P53634 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
KRAS P01116 1/20 0.54
SOS1 Q07889 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
APAF1 O14727 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ACE P12821 1/20 0.53

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
SCHEMBL7064069 0.88 MMP9 (0.68) MAPTKDM4EMEN1LMNAMPO
SCHEMBL29924850 0.86 KDM4E (0.65) MAPTKDM4EMEN1LMNAMPO
SCHEMBL5583839 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL9596908 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL29701966 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL11855463 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL9596897 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL5612810 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL3359705 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO
SCHEMBL9869824 0.85 ACE (0.72) MAPTKDM4EMEN1LMNAMPO

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
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed