SCHEMBL9798451

SCHEMBL9798451

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NQO2 P16083 1/20 0.42
BACE1 P56817 1/20 0.41
INSR P06213 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK1 P28482 1/20 0.39
APP P05067 4/20 0.39
JAK2 O60674 1/20 0.39
MITF O75030 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NTSR1 P30989 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9798446 1.00 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9798356 0.96 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9798595 0.87 MEN1 (0.50) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL9798589 0.87 MEN1 (0.50) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL9799330 0.86 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9799326 0.86 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13236059 0.86 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9798630 0.85 ALDH3A1 (0.44) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL9798622 0.85 ALDH3A1 (0.44) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL9798875 0.84 MAPT (0.54) MAPTALDH1A1LMNASMN1; 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 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