SCHEMBL7923612

SCHEMBL7923612

Cc1ccc(N2CCN(C(=O)CCCN(C)C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
TIPARP Q7Z3E1 2/20 0.44
TACR1 P25103 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
MTOR P42345 2/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
USP2 O75604 2/20 0.42
ADAM17 P78536 1/20 0.41
MC4R P32245 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16255766 0.93 MTOR (0.48) KMT2ATSHRMEN1TACR1MTOR
SCHEMBL7923613 0.87 MAPT (0.53) KMT2ATSHRMEN1LMNAALDH1A1
SCHEMBL12139633 0.87 TIPARP (0.45) KMT2ATSHRMEN1TIPARPTACR1
SCHEMBL12141588 0.87 TACR1 (0.47) KMT2ATSHRMEN1TIPARPTACR1
SCHEMBL16255704 0.85 KMT2A (0.52) KMT2ATSHRMEN1LMNAALDH1A1
SCHEMBL16255781 0.82 TSHR (0.65) KMT2ATSHRMEN1MTORLMNA
SCHEMBL16255703 0.82 MTOR (0.48) KMT2ATSHRMEN1TACR1MTOR
SCHEMBL12142074 0.80 MTOR (0.47) KMT2AMEN1TIPARPTACR1MTOR
SCHEMBL12139616 0.80 MTOR (0.47) TIPARPTACR1MTORMC4R
SCHEMBL10259980 0.78 ALDH1A1 (0.48) KMT2ATSHRMEN1LMNAALDH1A1

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-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 WO disclosed