SCHEMBL7841922

SCHEMBL7841922

C=C/C=C(\C=C(/C)c1ccccc1)CN

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM1A O60341 1/20 0.37
DEGS1 O15121 1/20 0.36
AKT1 P31749 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL25064706 0.85 DEGS1 (0.36) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL18173271 0.76 AKT1 (0.43) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL1136742 0.76 AKT1 (0.43) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL3689955 0.76 AKT1 (0.43) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL25467855 0.75 DEGS1 (0.39) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL27478247 0.74 AKT1 (0.41) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL24922546 0.74 DEGS1 (0.38) KDM1ADEGS1AKT1SMN1; SMN2MEN1
SCHEMBL24030217 0.70
SCHEMBL26198838 0.69 KDM1A (0.42) HDAC1HDAC2KDM1ALMNA
SCHEMBL22252510 0.68 DEGS1 (0.44) KDM1ADEGS1AKT1SMN1; SMN2MEN1

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-2010151689-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2010-12-29 WO disclosed