SCHEMBL9815511

SCHEMBL9815511

Cc1ccc(N)cc1.O=C(O)N=S(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
LMNA P02545 2/20 0.37
SRD5A2 P31213 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
TSHR P16473 1/20 0.36

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
Aniline SCHEMBL10444242 0.81 TSHR (0.50) ALDH1A1MAPTTDP1POLBRAB9A
Sulfurous Acid SCHEMBL11071488 0.78 ACHE (0.68) ACHETEAD4ALDH1A1MAPTTDP1
Acetic Acid SCHEMBL11420201 0.78 ACHE (0.68) ACHETEAD4ALDH1A1MAPTTDP1
Sulfurous Acid SCHEMBL11076739 0.78 ACHE (0.68) ACHETEAD4ALDH1A1MAPTTDP1
Carbamic Acid SCHEMBL11292721 0.78 ACHE (0.68) ACHETEAD4ALDH1A1MAPTTDP1
Acetic Acid SCHEMBL5642434 0.78 ACHE (0.68) ACHETEAD4ALDH1A1MAPTTDP1
Urea SCHEMBL28744534 0.75 ACHE (0.72) ACHETEAD4ALDH1A1MAPTTDP1
Maleic Acid SCHEMBL29876105 0.72 ALDH1A1 (0.61) ACHETEAD4ALDH1A1MAPTTDP1
Terephthalic Acid SCHEMBL27477602 0.72 ALDH1A1 (0.77) ACHETEAD4ALDH1A1MAPTTDP1
Aminobenzoic Acid SCHEMBL8775569 0.72 ALDH1A1 (0.77) ACHETEAD4ALDH1A1MAPTTDP1

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-0141373-B1 DELIVERY SYSTEM FOR MERISTEMATIC TISSUE PLANT GENETICS, INC. (US) 1991-10-16 EP claimed
JP-63135305-A None JP disclosed
JP-S63135305-A HERBICIDE FOR NONAGRICULTURAL LAND, ORCHARD AND MULBERRY FIELD HOKKO CHEM IND CO LTD 1988-06-07 JP disclosed