SCHEMBL7706332

SCHEMBL7706332

CCN(CC)c1ccnc2ncnn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.58
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
GAA P10253 4/20 0.42
RCE1 Q9Y256 1/20 0.41
GLA P06280 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
ENPP1 P22413 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
EGLN2 Q96KS0 4/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL7610244 0.79 EGLN2 (0.39) LMNACYP1A2MAPK1ALDH1A1KDM4E
Trapidil SCHEMBL33563 0.73 MAPK1 (1.00) LMNACYP1A2MAPK1TP53L3MBTL1
Trapidil SCHEMBL19438921 0.73 MAPK1 (1.00) LMNACYP1A2MAPK1TP53L3MBTL1
SCHEMBL6468861 0.73 ALDH1A1 (0.47) LMNAALDH1A1KDM4EGAARCE1
Trapidil SCHEMBL6447214 0.72 MAPK1 (0.97) LMNACYP1A2MAPK1TP53L3MBTL1
Trapidil SCHEMBL997509 0.70 MAPK1 (0.91) LMNACYP1A2MAPK1TP53L3MBTL1
SCHEMBL7899954 0.70 ALDH1A1 (0.52) MAPK1ALDH1A1KDM4EGAARCE1
SCHEMBL7706336 0.68 LMNA (0.33) LMNACYP1A2MAPK1GSK3B
SCHEMBL10406955 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EGAARCE1GLA
SCHEMBL9555662 0.67 ALDH1A1 (0.58) ALDH1A1KDM4EGAARCE1GLA

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-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed