SCHEMBL7706435

SCHEMBL7706435

Cc1cc(NCC(C)C)n2nc(C)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 5/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
AHR P35869 1/20 0.50
MAPK1 P28482 4/20 0.49
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.47

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
SCHEMBL7706472 0.75 GAA (0.67) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL7819172 0.72 TP53 (0.64) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL20156432 0.71 SMN1; SMN2 (0.46) HTTGAA
SCHEMBL7712463 0.71 L3MBTL1 (0.70) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL14132781 0.70 LMNA (0.67) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL12807968 0.69 TP53 (0.78) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL13325681 0.68 RECQL (0.68) TSHRTP53ALDH1A1LMNAAHR
SCHEMBL29386004 0.68 TP53 (0.74) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL20539215 0.68 LMNA (0.63) TSHRL3MBTL1TP53ALDH1A1LMNA
SCHEMBL14132985 0.67 TP53 (0.74) TSHRL3MBTL1TP53ALDH1A1LMNA

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