SCHEMBL9685503

SCHEMBL9685503

CN(C)/C=C/c1cccc(C#N)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.37
ALDH1A1 P00352 8/20 0.37
GAA P10253 3/20 0.37
RAB9A P51151 2/20 0.37
MMP14 P50281 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 4/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
FBP1 P09467 1/20 0.33
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
GRIN2D O15399 1/20 0.32

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
SCHEMBL9685505 1.00 MAPT (0.37) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL27985273 0.79 MAPT (0.41) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL11006035 0.79 TSHR (0.50) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL11836212 0.79 ALDH1A1 (0.56) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL7298528 0.79 TSHR (0.50) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL11836225 0.79 ALDH1A1 (0.56) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL9685477 0.79 ERN1 (0.45) MAPTALDH1A1POLBTDP1HTT
SCHEMBL13602996 0.78 MAPT (0.46) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL2625725 0.78 MAPT (0.39) MAPTALDH1A1GAARAB9AMMP14
SCHEMBL3941257 0.78 MAPT (0.39) MAPTALDH1A1GAARAB9AMMP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245053-B1 HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS ICI AMERICAS INC. (US) 1992-11-25 EP disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 US disclosed
EP-0245053-A1 Heterocyclic fused tricyclic compounds ICI AMERICAS INC. (US) 1987-11-11 EP disclosed