SCHEMBL9516052

SCHEMBL9516052

N/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
SOS1 Q07889 1/20 0.57
MAOB P27338 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP19A1 P11511 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 4/20 0.50
ATM Q13315 2/20 0.50
HSP90AA1 P07900 1/20 0.50
BACE1 P56817 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL9388112 1.00 MAPT (0.61) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL14935499 0.87 MAPT (0.69) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL9978289 0.87 MAPT (0.69) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL11049170 0.87 MAPT (0.69) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL11299049 0.85 MAPT (0.67) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL11296000 0.85 MAPT (0.67) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL5440784 0.83 SOS1 (0.71) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL5440780 0.83 SOS1 (0.71) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL1531429 0.82 MAPT (0.62) MAPTSOS1MAOBMEN1KMT2A
SCHEMBL1531427 0.82 MAPT (0.62) MAPTSOS1MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430001-B1 Process for preparing benzaldehydes BAYER AG (DE) 1993-12-22 EP claimed
US-5082976-A PROCESS FOR THE PREPARATION OF BENZALDEHYDES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US claimed
US-5082976-A PROCESS FOR THE PREPARATION OF BENZALDEHYDES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-4595765-A Process for preparing 5,6-dihydroxyindole CLAIROL INCORPORATED (US) 1986-06-17 US disclosed
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 US disclosed