SCHEMBL9799284

SCHEMBL9799284

CN(C)c1ccc(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BACE1 P56817 3/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HBB P68871 1/20 0.40
INSR P06213 1/20 0.40
PTGS2 P35354 1/20 0.40
APP P05067 3/20 0.39
JAK2 O60674 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
SCHEMBL9799277 1.00 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2BACE1
SCHEMBL9799245 0.88 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9799239 0.88 MAPT (0.51) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9799330 0.86 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2BACE1
SCHEMBL9799326 0.86 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2BACE1
SCHEMBL9799316 0.86 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9799309 0.86 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9798869 0.84 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2BACE1
SCHEMBL9798875 0.84 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2BACE1
SCHEMBL9799271 0.78 MEN1 (0.48) 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