SCHEMBL103596

SCHEMBL103596

C=C(C)c1ccc(/C=N/N=C/c2ccc(C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GRIN2D O15399 8/20 0.44
GRIN3B O60391 8/20 0.44
GRIN1 Q05586 8/20 0.44
GRIN2A Q12879 8/20 0.44
GRIN2B Q13224 8/20 0.44
GRIN2C Q14957 8/20 0.44
GRIN3A Q8TCU5 8/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
F2 P00734 1/20 0.41
FURIN P09958 1/20 0.41
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL56361 0.77 MAPT (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1760727 0.76 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1POLBKMT2A
SCHEMBL22105678 0.74 ESR1 (0.35) MAPTALDH1A1L3MBTL1POLB
SCHEMBL47357 0.74 CYP2A6 (0.54) RAB9AALDH1A1L3MBTL1POLB
SCHEMBL7596929 0.74 MAPT (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28660752 0.74 MAPT (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2608307 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL11743247 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10492524 0.71 MAPT (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19757214 0.70 KMT2A (0.72) NPC1RAB9AMAPTALDH1A1L3MBTL1

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-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed