SCHEMBL9615978

SCHEMBL9615978

CCN(CC)C(=O)Nc1cccc2c1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
THRA P10827 1/20 0.64
THRB P10828 1/20 0.64
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL3066269 0.81 ALDH1A1 (0.78) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL1638724 0.79 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL12044287 0.77 L3MBTL1 (0.56) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL4877265 0.77 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL6627142 0.77 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL6627140 0.77 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10434939 0.76 ABCC1 (0.54) ALDH1A1LMNAKDM4EPOLBTSHR
SCHEMBL30567324 0.75 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL2357753 0.75 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL5418295 0.75 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2ATHRA

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
JP-4178363-A None JP disclosed
JP-H04178363-A UREA DERIVATIVE AND PEST CONTROLLING AGENT CONTAINING THE SAME TOSOH CORP 1992-06-25 JP disclosed