SCHEMBL4540069

SCHEMBL4540069

CC(NCc1ccc(Cl)c(NC(=O)c2ccncc2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.61
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
NAMPT P43490 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CSF1R P07333 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
AKT1 P31749 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL4999656 1.00 HDAC1 (0.61) HDAC1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4540403 0.92 HDAC1 (0.53) HDAC1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL4990054 0.92 HDAC1 (0.53) HDAC1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL4999726 0.89 TSHR (0.55) HDAC1ALDH1A1LMNAKDM4EMAPK1
SCHEMBL4542218 0.89 TSHR (0.55) HDAC1ALDH1A1LMNAKDM4EMAPK1
SCHEMBL3879826 0.86 GRM4 (0.48) HDAC1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL311727 0.86 GRM4 (0.48) HDAC1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL4999677 0.85 MDM4 (0.50) HDAC1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3960528 0.85 MDM4 (0.50) HDAC1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4999756 0.84 SMN1; SMN2 (0.52) HDAC1KMT2AALDH1A1LMNAKDM4E

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-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed