SCHEMBL22898732

SCHEMBL22898732

C=C(/N=C(\C)c1ccc(C2=CCCC=C2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL19723728 0.89
SCHEMBL24860210 0.82 SMN1; SMN2 (0.48) MAPTSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL22147040 0.81
SCHEMBL16373659 0.80 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL24443126 0.80 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL17726107 0.77 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25860380 0.76 SMN1; SMN2 (0.33) MAPTSMN1; SMN2POLB
SCHEMBL3807753 0.73 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21600414 0.73 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL16364863 0.72 LMNA (0.45) MAPTSMN1; SMN2ALDH1A1POLB

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-2021009206-A1 COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER, AN ORGANIC ELECTRONIC DEVICE, A DISPLAY DEVICE AND A LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2021-01-21 WO disclosed