SCHEMBL11325329

SCHEMBL11325329

Cc1cc(O)n(C(C)C)c(=O)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RET P07949 4/20 0.33
PKMYT1 Q99640 3/20 0.33
WEE1 P30291 2/20 0.33
MYT1 Q01538 2/20 0.33
CDK1 P06493 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
PIM1 P11309 1/20 0.32
TTK P33981 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
HPD P32754 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10928607 0.83 LMNA (0.37) POLBLMNANPSR1
SCHEMBL8957033 0.77 POLB (0.41) POLBLMNANPSR1PKMYT1WEE1
SCHEMBL28002886 0.76 LMNA (0.33) LMNANPSR1
SCHEMBL11150924 0.76 CYP1A2 (0.36) POLBLMNACYP1A2
SCHEMBL11297530 0.74 CYP3A4 (0.39) POLBHTTLMNAMAPTCYP1A2
SCHEMBL2212267 0.73 KDM4E (0.40) POLBLMNANPSR1MAPTCYP1A2
SCHEMBL11042949 0.71 KDM4E (0.53) LMNAMAPT
SCHEMBL7888426 0.71 GRIN2D (0.41) POLBLMNANPSR1MAPT
SCHEMBL4968505 0.71 POLB (0.36) POLBLMNANPSR1MAPTBRD4
SCHEMBL4649792 0.71 KDM4E (0.42) POLBLMNANPSR1MAPTBRD4

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-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 US disclosed
US-4243809-A 5-SULFONYL-6-HYDROXYPYRIDONES OR THE 3-CARBAMOYL DERIVATIVES; SULFONYLATION WITH AN ALKYL SULFONYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-01-06 US disclosed