SCHEMBL11236899

SCHEMBL11236899

COCCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
S1PR4 O95977 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
TBXA2R P21731 2/20 0.41

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
SCHEMBL11145873 0.99 CYP19A1 (0.43) CYP19A1MAPTHPGDRAB9ASMN1; SMN2
Water SCHEMBL11430935 0.97 CYP19A1 (0.43) CYP19A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10786166 0.86 MAPT (0.47) CYP19A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL11145869 0.86 MAPT (0.47) CYP19A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL11148304 0.86 CYP19A1 (0.44) CYP19A1MAPTRAB9ALMNAALDH1A1
Water SCHEMBL11430929 0.85 MAPT (0.46) CYP19A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL11286245 0.85 CYP19A1 (0.49) CYP19A1MAPTLMNAALDH1A1KMT2A
SCHEMBL11157829 0.83 TBXA2R (0.48) CYP19A1LMNAALDH1A1TBXA2R
SCHEMBL11240386 0.83 TDP1 (0.57) CYP19A1HPGDSMN1; SMN2TDP1LMNA
SCHEMBL2002273 0.81 MAPT (0.55) CYP19A1MAPTHPGDRAB9ASMN1; SMN2

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-4340661-A MONOAZO DYES FUJI PHOTO FILM CO., LTD. (JP) 1982-07-20 US disclosed
US-4310693-A o-Aminophenol compounds FUJI PHOTO FILM CO., LTD. (JP) 1982-01-12 US disclosed