SCHEMBL11222809

SCHEMBL11222809

O=C(O)Oc1cccc(-c2ccccc2[N+](=O)[O-])c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.40
MAPK1 P28482 2/20 0.40
GBA1 P04062 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PRMT5 O14744 1/20 0.39
GAA P10253 1/20 0.39
BLM P54132 1/20 0.39
WDR77 Q9BQA1 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
SCHEMBL11222806 1.00 ALDH1A1 (0.46) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL1639309 0.86 ALDH1A1 (0.53) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL11223718 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL11223676 0.83 ALDH1A1 (0.46) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL57738 0.80 ALDH1A1 (0.58) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL57737 0.80 ALDH1A1 (0.58) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL3758839 0.78 ALDH1A1 (0.57) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL48360 0.75 GPR35 (0.53) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL15926782 0.75 TDP1 (0.70) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL48361 0.75 GPR35 (0.53) ALDH1A1TDP1MAPTHTTMEN1

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
US-4363905-A PHASE TRANSFER CATALYST GENERAL ELECTRIC COMPANY (US) 1982-12-14 US disclosed
US-4316981-A Polycarbonate transesterification GENERAL ELECTRIC COMPANY (US) 1982-02-23 US disclosed