SCHEMBL8036039

SCHEMBL8036039

CCOc1ccc(N(C)C(C#N)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.47
LTA4H P09960 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RELA Q04206 1/20 0.41
NQO1 P15559 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 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
SCHEMBL27836965 0.73 LTA4H (0.49) TP53MAPTLTA4HMEN1KMT2A
SCHEMBL1201037 0.72 LTA4H (0.47) TP53MAPTLTA4HMEN1KMT2A
SCHEMBL19002846 0.71 NQO1 (0.56) TP53MAPTLMNALTA4HNQO1
SCHEMBL9806097 0.71 LTA4H (0.59) TP53MAPTLTA4HMEN1KMT2A
SCHEMBL6306948 0.70 LTA4H (0.63) TP53MAPTLTA4HMEN1KMT2A
SCHEMBL8944052 0.70 LTA4H (0.63) TP53MAPTLTA4HMEN1KMT2A
SCHEMBL7369820 0.69 LTA4H (0.61) TP53MAPTLMNALTA4HMEN1
Phenetole SCHEMBL27809936 0.69 LTA4H (0.65) TP53MAPTLMNALTA4HL3MBTL1
SCHEMBL3447644 0.69 TRPA1 (0.46) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL1275688 0.69 TRPA1 (0.46) MAPTLMNAMEN1KMT2AL3MBTL1

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-2000067733-A2 MEDICAMENT FOR TREATING HUMAN INFERTILITY ROLF CLAUS (DE) 2000-11-16 WO disclosed