SCHEMBL9696255

SCHEMBL9696255

NC=S.ONCC1COc2cc(Oc3ccccc3)ccc2O1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.58
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR1A P08908 4/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 3/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Formamide SCHEMBL9694812 0.93 ALOX5 (0.61) ALOX5ADRB2ADRB1ADRB3ADRA1D
SCHEMBL9696408 0.93 ALOX5 (0.62) ALOX5ADRB2ADRB1ADRB3HTR1A
Formamide SCHEMBL9618563 0.89 ALOX5 (0.61) ALOX5ADRB2ADRB1ADRB3MEN1
SCHEMBL9696268 0.88 ALOX5 (0.62) ALOX5ADRB2ADRB1ADRB3HTR1A
SCHEMBL9696456 0.80 ALOX5 (0.65) ALOX5ADRB2ADRB1ADRB3HTR1A
Formamide SCHEMBL9695887 0.79 ALOX5 (0.61) ALOX5ADRB2ADRB1ADRB3
SCHEMBL9696249 0.76 ALOX5 (0.80) ALOX5ALOX12MEN1KMT2AHPGD
SCHEMBL9694749 0.74 ALOX5 (0.65) ALOX5ADRB2ADRB1ADRB3HTT
Formamide SCHEMBL9695948 0.74 MTNR1A (0.60) ALOX5ADRB2ADRB1ADRB3ADRA1D
Formamide SCHEMBL9695907 0.74 ALDH1A1 (0.60) HTR1AADRA1AHTTMEN1KMT2A

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
EP-0498770-A1 Certain benzodioxole, benzodioxane and benzodioxepin derivatives CIBA-GEIGY AG (CH) 1992-08-12 EP disclosed
US-5120758-A Treating allergic, inflammatory, cardiovascular, pulmonary, arthritic, cutaneous disorders CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed