SCHEMBL9195644

SCHEMBL9195644

COC(=O)Oc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 3/20 0.59
ALDH1A1 P00352 7/20 0.54
ADRA2B P18089 1/20 0.54
PTGS1 P23219 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
CFTR P13569 1/20 0.50
RCE1 Q9Y256 1/20 0.43
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CTSD P07339 1/20 0.42
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 2/20 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
SCHEMBL1362672 0.87 ALDH1A1 (0.50) KDM4EHSD17B10HPGDALDH1A1ADRA2B
SCHEMBL11925422 0.85 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL11499300 0.79 TSHR (0.45) KDM4EHSD17B10HPGDALDH1A1ADRA2B
SCHEMBL10932991 0.79 ALDH1A1 (0.54) KDM4EHSD17B10HPGDALDH1A1ADRA2B
SCHEMBL27821730 0.79 ELANE (0.46) KDM4EHSD17B10HPGDALDH1A1ADRA2B
SCHEMBL6254697 0.79 KDM4E (0.63) KDM4EHSD17B10HPGDALDH1A1TDP1
SCHEMBL362353 0.79 PTGS2 (0.57) KDM4EHSD17B10HPGDALDH1A1ADRA2B
SCHEMBL982771 0.79 HSD17B10 (0.63) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL11772785 0.78 ALDH1A1 (0.59) KDM4EHSD17B10HPGDALDH1A1ADRA2B
SCHEMBL29728939 0.78 ALDH1A1 (0.59) KDM4EHSD17B10HPGDALDH1A1ADRA2B

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-0482508-B1 Biscationic azo dyes and their intermediates BASF AG (DE) 1995-07-12 EP disclosed
EP-0482508-A1 Biscationic azo dyes and their intermediates BASF Aktiengesellschaft (DE) 1992-04-29 EP disclosed
EP-0002041-A1 Processes for synthesizing bisazomethine-bisazo pigments CIBA-GEIGY AG (CH) 1979-05-30 EP disclosed