SCHEMBL9622795

SCHEMBL9622795

CC=CC=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.61
MAPT P10636 8/20 0.56
NPSR1 Q6W5P4 2/20 0.51
MAOB P27338 1/20 0.51
ALDH1A1 P00352 7/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
MAPK1 P28482 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP19A1 P11511 2/20 0.51
KMT2A Q03164 6/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 5/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL9622793 1.00 SOS1 (0.61) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL5440780 0.91 SOS1 (0.71) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL5440784 0.91 SOS1 (0.71) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL7527194 0.87 MAPT (0.61) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL7516374 0.87 MAPT (0.61) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL415690 0.87 MAPT (0.61) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL10405612 0.84 SOS1 (0.63) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL6156770 0.84 SOS1 (0.50) SOS1MAPTNPSR1MAOBALDH1A1
SCHEMBL10405613 0.84 SOS1 (0.63) SOS1MAPTMAOBALDH1A1RAB9A
SCHEMBL9978289 0.82 MAPT (0.69) SOS1MAPTNPSR1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed