SCHEMBL9799285

SCHEMBL9799285

CN(C)c1ccc(-c2ccc(C=Cc3ccc([N+](=O)[O-])c(F)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
APP P05067 4/20 0.47
MAT2A P31153 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CASP1 P29466 2/20 0.43
HBB P68871 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 0.43
INSR P06213 1/20 0.42
PTGS2 P35354 1/20 0.42
RELA Q04206 1/20 0.41

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
SCHEMBL9799278 1.00 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798869 0.87 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798875 0.87 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798457 0.86 ALDH1A1 (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9798452 0.86 ALDH1A1 (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23926475 0.86 MAPT (0.54) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798399 0.84 ALDH3A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798392 0.84 ALDH3A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798671 0.82 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAAPP
SCHEMBL9798677 0.82 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAAPP

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
EP-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990009616-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed