SCHEMBL13618688

SCHEMBL13618688

CC(C)c1ccc(C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR5 P51681 1/20 0.35
PDE2A O00408 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SLC13A5 Q86YT5 1/20 0.34
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL13347539 0.79 MAPT (0.38) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL593214 0.77 GAA (0.37) SRCLMNAHPGDMAPTHTT
SCHEMBL3729724 0.76 SRC (0.50) SRCALDH1A1HPGDMAPTKDM4E
SCHEMBL9531241 0.76 SRC (0.45) SRCSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3630293 0.75 SRC (0.50) SRCSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL592680 0.75 LIG1 (0.47) SRCSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL10544590 0.75 AKR1C3 (0.46) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL30647012 0.74 SRC (0.51) SRCALDH1A1KMT2AMEN1HPGD
SCHEMBL1520555 0.74 SRC (0.51) SRCALDH1A1KMT2AMEN1HPGD
SCHEMBL6707631 0.74 LTA4H (0.40) SRCSMN1; SMN2ALDH1A1LMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed