SCHEMBL9020799

SCHEMBL9020799

CCCCCc1cc(C(C)CNCCCn2ccnc2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
QPCT Q16769 6/20 0.41
TBXAS1 P24557 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL9021013 0.82 MAPK1 (0.45) LMNASMN1; SMN2HTTMAPK1POLB
SCHEMBL9020694 0.80 QPCT (0.50) LMNAQPCTSMN1; SMN2POLBALDH1A1
SCHEMBL9020770 0.76 LMNA (0.50) LMNAQPCTTBXAS1POLBCYP19A1
SCHEMBL7877322 0.76 SMN1; SMN2 (0.43) LMNAQPCTTBXAS1SMN1; SMN2HTT
SCHEMBL9021127 0.76 LMNA (0.52) LMNAQPCTSMN1; SMN2HTTMAPK1
SCHEMBL9020919 0.75 ALDH1A1 (0.50) LMNATBXAS1POLBALDH1A1KMT2A
SCHEMBL9021061 0.73 LMNA (0.44) LMNAQPCTSMN1; SMN2HTTPOLB
SCHEMBL16299531 0.70 TBXAS1 (0.71) LMNAQPCTTBXAS1SMN1; SMN2HTT
SCHEMBL8648375 0.70 QPCT (0.53) LMNAQPCTTBXAS1SMN1; SMN2POLB
SCHEMBL9020953 0.69 ALDH1A1 (0.54) LMNAQPCTTBXAS1POLBALDH1A1

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-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed