SCHEMBL14964780

SCHEMBL14964780

N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.78
MAPT P10636 8/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
RAB9A P51151 7/20 0.78
NPC1 O15118 6/20 0.78
LMNA P02545 4/20 0.78
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 2/20 0.54
PPARD Q03181 2/20 0.52
TDP1 Q9NUW8 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL14965063 1.00 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14965065 1.00 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14964781 1.00 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14964917 0.99 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14964918 0.99 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14968774 0.87 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14968775 0.87 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14964895 0.86 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14965018 0.86 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14965017 0.86 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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
WO-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed
WO-2013072390-A2 STILBENE COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA TRANSMITTED ILLNESSES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2013-05-23 WO disclosed