SCHEMBL14023396

SCHEMBL14023396

Cc1cc(N)cc(C(=O)NCCCN2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
POLB P06746 2/20 0.61
TP53 P04637 1/20 0.61
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP2C9 P11712 2/20 0.57
CYP2D6 P10635 1/20 0.57
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
CD274 Q9NZQ7 1/20 0.54

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
SCHEMBL22823029 0.82 SMN1; SMN2 (0.70) POLBALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL10192030 0.82 ALDH1A1 (0.70) POLBALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL763452 0.81 HTT (0.78) LMNAALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL12459935 0.81 CD274 (0.79) LMNAALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL10318171 0.80 POLB (0.69) LMNAPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL23139667 0.78 ALDH1A1 (0.64) LMNAALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL9926499 0.78 ALDH1A1 (0.67) POLBTP53ALDH1A1TSHRKDM4E
SCHEMBL15485296 0.78 CD274 (0.62) POLBTP53ALDH1A1TSHRKDM4E
SCHEMBL17652655 0.78 LMNA (0.68) LMNAPOLBTP53ALDH1A1TSHR
SCHEMBL15484809 0.78 ALDH1A1 (0.79) LMNAPOLBTP53ALDH1A1TSHR

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
WO-2008140420-A2 PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed